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Steroide und Derivate

Jede große Klasse organischer Verbindungen mit einer charakteristischen Molekülstruktur, die vier Ringe aus Kohlenstoffatomen (drei sechsgliedrige und einen fünfgliedrigen) und zugehörige Derivate enthält; enthält viele Hormone, Alkaloide und Vitamine.

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1

Cholsäure, ≥ 98 %, Thermo Scientific Chemicals

CAS: 81-25-4 Summenformel: C24H40O5 Molekulargewicht (g/mol): 408.579 MDL-Nummer: MFCD00003672 InChI-Schlüssel: BHQCQFFYRZLCQQ-OELDTZBJSA-N Synonym: cholic acid,cholalic acid,cholate,cholalin,colalin,cholsaeure,cholbam,cholicacid,cholic acid, 5beta,3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid PubChem CID: 221493 ChEBI: CHEBI:16359 IUPAC-Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentansäure SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

InChI-Schlüssel BHQCQFFYRZLCQQ-OELDTZBJSA-N
IUPAC-Name (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentansäure
PubChem CID 221493
CAS 81-25-4
ChEBI CHEBI:16359
MDL-Nummer MFCD00003672
Molekulargewicht (g/mol) 408.579
SMILES CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Synonym cholic acid,cholalic acid,cholate,cholalin,colalin,cholsaeure,cholbam,cholicacid,cholic acid, 5beta,3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid
Summenformel C24H40O5
3

7-Hydroxy-3-oxo-Cholest-4-en-26-oic Acid, TRC

CAS: 115538-85-7 Summenformel: C27H42O4 Molekulargewicht (g/mol): 430.62 Synonym: 7alpha-Hydroxy-3-oxo-4-cholestenoic Acid,7alpha-Hydroxy-3-oxocholest-4-en-26-oic Acid IUPAC-Name: (6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptansäure SMILES: C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

IUPAC-Name (6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptansäure
CAS 115538-85-7
Molekulargewicht (g/mol) 430.62
SMILES C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Synonym 7alpha-Hydroxy-3-oxo-4-cholestenoic Acid,7alpha-Hydroxy-3-oxocholest-4-en-26-oic Acid
Summenformel C27H42O4
5

Nutriacholsäure, TRC

CAS: 4651-67-6 Summenformel: C24 H38 O4 Molekulargewicht (g/mol): 390.56 Synonym: 3alpha-Hydroxy-7-oxo-5beta-cholan-24-oic Acid,3alpha-Hydroxy-7-oxo-5beta-cholanic Acid,3alpha-Hydroxy-7-oxo-5beta-cholanoic Acid,3alpha-Hydroxy-7-oxo-5beta-cholic Acid,5beta-Cholanic Acid-3alpha-ol-7-one,7-Ketochenodeoxycholic Acid,7-Ketolithocholic Acid,7-Oxo-3alpha-hydroxycholan-24-oic Acid,7-Oxolithocholic Acid,7-Keto-Lithocholic Acid,NSC 226118,3alpha-Hydroxy-7-oxo-5beta-cholanic Acid,3alpha-Hydroxy-7-oxo-5beta-cholan-24-oic Acid,(3alpha,5beta)-3-Hydroxy-7-oxo-cholan-24-oic Acid,Ursodeoxycholic Acid EP Impurity F; IUPAC-Name: (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentansäure SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](O)C[C@H]4CC3=O

IUPAC-Name (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentansäure
CAS 4651-67-6
Molekulargewicht (g/mol) 390.56
SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](O)C[C@H]4CC3=O
Synonym 3alpha-Hydroxy-7-oxo-5beta-cholan-24-oic Acid,3alpha-Hydroxy-7-oxo-5beta-cholanic Acid,3alpha-Hydroxy-7-oxo-5beta-cholanoic Acid,3alpha-Hydroxy-7-oxo-5beta-cholic Acid,5beta-Cholanic Acid-3alpha-ol-7-one,7-Ketochenodeoxycholic Acid,7-Ketolithocholic Acid,7-Oxo-3alpha-hydroxycholan-24-oic Acid,7-Oxolithocholic Acid,7-Keto-Lithocholic Acid,NSC 226118,3alpha-Hydroxy-7-oxo-5beta-cholanic Acid,3alpha-Hydroxy-7-oxo-5beta-cholan-24-oic Acid,(3alpha,5beta)-3-Hydroxy-7-oxo-cholan-24-oic Acid,Ursodeoxycholic Acid EP Impurity F;
Summenformel C24 H38 O4
6

Desoxycholsäure, TRC

CAS: 83-44-3 Summenformel: C24 H40 O4 Molekulargewicht (g/mol): 392.57 Synonym: Cholan-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)-,5β-Cholan-24-oic acid, 3α,12α-dihydroxy- (8CI),(3α,5β,12α)-3,12-Dihydroxycholan-24-oic acid,17β-[1-Methyl-3-carboxypropyl]-etiocholane-3α,12α-diol,3α,12α-Dihydroxy-5β-cholan-24-oic acid,3α,12α-Dihydroxy-5β-cholanic acid,3α,12α-Dihydroxy-5β-cholanoic acid,3α,12α-Dihydroxycholanic acid,5β-Cholanic acid-3α,12α-diol,5β-Deoxycholic acid,7-Deoxycholic acid,ATX 101,Cholerebic,Cholic acid, deoxy-,Cholorebic,Degalol,Deoxycholatic acid,Deoxycholic acid,Desoxycholic acid,Droxolan,Kybella,NSC 8797,Pyrochol,Septochol IUPAC-Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]phenanthren-17-yl]pentansäure SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

IUPAC-Name (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]phenanthren-17-yl]pentansäure
CAS 83-44-3
Molekulargewicht (g/mol) 392.57
SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Synonym Cholan-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)-,5β-Cholan-24-oic acid, 3α,12α-dihydroxy- (8CI),(3α,5β,12α)-3,12-Dihydroxycholan-24-oic acid,17β-[1-Methyl-3-carboxypropyl]-etiocholane-3α,12α-diol,3α,12α-Dihydroxy-5β-cholan-24-oic acid,3α,12α-Dihydroxy-5β-cholanic acid,3α,12α-Dihydroxy-5β-cholanoic acid,3α,12α-Dihydroxycholanic acid,5β-Cholanic acid-3α,12α-diol,5β-Deoxycholic acid,7-Deoxycholic acid,ATX 101,Cholerebic,Cholic acid, deoxy-,Cholorebic,Degalol,Deoxycholatic acid,Deoxycholic acid,Desoxycholic acid,Droxolan,Kybella,NSC 8797,Pyrochol,Septochol
Summenformel C24 H40 O4
7

Cholicsäure, TRC

CAS: 81-25-4 Summenformel: C24 H40 O5 Molekulargewicht (g/mol): 408.57 Synonym: Cholic Acid,(3α,5β,7α,12α)-3,7,12-Trihydroxycholan-24-oic acid,Cholic acid,17β-[1-Methyl-3-carboxypropyl]etiocholane-3α,7α,12α-triol,3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid,3α,7α,12α-Trihydroxy-5β-cholanic acid,3α,7α,12α-Trihydroxy-5β-cholanoic acid,3α,7α,12α-Trihydroxy-β-cholanic acid,3α,7α,12α-Trihydroxycholanic acid,5β-Cholanic acid-3α,7α,12α-triol,5β-Cholic acid,Cholalic acid,Cholalin,Colalin,E 1000,NSC-6135,Cholan-24-oic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)- IUPAC-Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentansäure SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

IUPAC-Name (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentansäure
CAS 81-25-4
Molekulargewicht (g/mol) 408.57
SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Synonym Cholic Acid,(3α,5β,7α,12α)-3,7,12-Trihydroxycholan-24-oic acid,Cholic acid,17β-[1-Methyl-3-carboxypropyl]etiocholane-3α,7α,12α-triol,3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid,3α,7α,12α-Trihydroxy-5β-cholanic acid,3α,7α,12α-Trihydroxy-5β-cholanoic acid,3α,7α,12α-Trihydroxy-β-cholanic acid,3α,7α,12α-Trihydroxycholanic acid,5β-Cholanic acid-3α,7α,12α-triol,5β-Cholic acid,Cholalic acid,Cholalin,Colalin,E 1000,NSC-6135,Cholan-24-oic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-
Summenformel C24 H40 O5
8

Chenodeoxycholsäure, TRC

CAS: 474-25-9 Summenformel: C24 H40 O4 Molekulargewicht (g/mol): 392.57 Synonym: Chenodeoxycholic acid,3α,7α-dihydroxy-5β-cholan-24-oic acid IUPAC-Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]Phenanthren-17-yl]pentansäure SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

IUPAC-Name (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]Phenanthren-17-yl]pentansäure
CAS 474-25-9
Molekulargewicht (g/mol) 392.57
SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Synonym Chenodeoxycholic acid,3α,7α-dihydroxy-5β-cholan-24-oic acid
Summenformel C24 H40 O4
9

Glycohyodeoxycholsäure, TRC

CAS: 13042-33-6 Summenformel: C26 H43 N O5 Molekulargewicht (g/mol): 449.62 Synonym: N-[(3α,5β,6α)-3,6-Dihydroxy-24-oxocholan-24-yl]glycine,N-(3α,6α-Dihydroxy-5β-cholan-24-oyl)glycine,Glycine Hyodeoxycholate,Glycylhyodeoxycholic Acid; IUPAC-Name: 2-[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]essigsäure SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

IUPAC-Name 2-[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]essigsäure
CAS 13042-33-6
Molekulargewicht (g/mol) 449.62
SMILES C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Synonym N-[(3α,5β,6α)-3,6-Dihydroxy-24-oxocholan-24-yl]glycine,N-(3α,6α-Dihydroxy-5β-cholan-24-oyl)glycine,Glycine Hyodeoxycholate,Glycylhyodeoxycholic Acid;
Summenformel C26 H43 N O5
10

Ursocholsäure, TRC

CAS: 2955-27-3 Summenformel: C24 H40 O5 Molekulargewicht (g/mol): 408.57 Synonym: (3alpha,5beta,7beta,12alpha)-3,7,12-Trihydroxycholan-24-oic acid,3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid,3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid,3alpha,7beta,12alpha-Trihydroxy-5beta-cholanoic acid,3alpha,7beta,12alpha-Trihydroxycholanic acid,7-Epicholic acid,7beta-Hydroxyisocholic acid,Ursocholic acid IUPAC-Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]Phenanthren-17-yl]pentansäure SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

IUPAC-Name (4R)-4-[(3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]Phenanthren-17-yl]pentansäure
CAS 2955-27-3
Molekulargewicht (g/mol) 408.57
SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Synonym (3alpha,5beta,7beta,12alpha)-3,7,12-Trihydroxycholan-24-oic acid,3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid,3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid,3alpha,7beta,12alpha-Trihydroxy-5beta-cholanoic acid,3alpha,7beta,12alpha-Trihydroxycholanic acid,7-Epicholic acid,7beta-Hydroxyisocholic acid,Ursocholic acid
Summenformel C24 H40 O5
11

Ursodeoxycholsäure, TRC

CAS: 128-13-2 Summenformel: C24 H40 O4 Molekulargewicht (g/mol): 392.57 Synonym: Ursodeoxycholic acid,3α,7β-Dihydroxy-5β-cholan-24-oic acid,5β-Cholan-24-oic acid, 3α,7β-dihydroxy- (8CI),5β-Cholanic acid, 3α,7β-dihydroxy- (7CI),17β-(1-Methyl-3-carboxypropyl)etiocholane-3α,7β-diol,3α,7β-Dihydroxy-5β-cholan-24-oate,3α,7β-Dihydroxy-5β-cholan-24-oic acid,3α,7β-Dihydroxy-5β-cholanic acid,3α,7β-Dihydroxy-5β-cholanoic acid,3α,7β-Dihydroxycholanic acid,7β-Hydroxylithocholic acid,Actigall,Adursal,Arsacol,Cholit-Ursan,Delursan,Desocol,Desol,Destolit,Deursil,Litursol,Lyeton,NSC 683769,Paptarom,Solutrat,UDCA,Urdes,Ursacol,Ursic acid,Urso,Ursobilin,Ursochol,Ursocholic acid, deoxy-,Ursocol,Ursodamor,Ursodeoxycholic acid,Ursodesoxycholic acid,Ursodiol,Ursofalk,Ursolvan,Ursosan IUPAC-Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]phenanthren-17-yl]Pentanosäure SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

IUPAC-Name (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]phenanthren-17-yl]Pentanosäure
CAS 128-13-2
Molekulargewicht (g/mol) 392.57
SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Synonym Ursodeoxycholic acid,3α,7β-Dihydroxy-5β-cholan-24-oic acid,5β-Cholan-24-oic acid, 3α,7β-dihydroxy- (8CI),5β-Cholanic acid, 3α,7β-dihydroxy- (7CI),17β-(1-Methyl-3-carboxypropyl)etiocholane-3α,7β-diol,3α,7β-Dihydroxy-5β-cholan-24-oate,3α,7β-Dihydroxy-5β-cholan-24-oic acid,3α,7β-Dihydroxy-5β-cholanic acid,3α,7β-Dihydroxy-5β-cholanoic acid,3α,7β-Dihydroxycholanic acid,7β-Hydroxylithocholic acid,Actigall,Adursal,Arsacol,Cholit-Ursan,Delursan,Desocol,Desol,Destolit,Deursil,Litursol,Lyeton,NSC 683769,Paptarom,Solutrat,UDCA,Urdes,Ursacol,Ursic acid,Urso,Ursobilin,Ursochol,Ursocholic acid, deoxy-,Ursocol,Ursodamor,Ursodeoxycholic acid,Ursodesoxycholic acid,Ursodiol,Ursofalk,Ursolvan,Ursosan
Summenformel C24 H40 O4
12

Lithocholsäure, TRC

CAS: 434-13-9 Summenformel: C24 H40 O3 Molekulargewicht (g/mol): 376.57 Synonym: (3α,5β)-3-Hydroxycholan-24-oic acid,17β-(1-Methyl-3-carboxypropyl)etiocholan-3α-ol,3-Hydroxycholan-24-oic acid,3α-Hydroxy-5β-cholan-24-oate,3α-Hydroxy-5β-cholan-24-oic acid,3α-Hydroxy-5β-cholanic acid,3α-Hydroxy-5β-cholanoic acid,3α-Hydroxycholanic acid,Lithocholic acid,NSC 683770 IUPAC-Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]phenanthren-17-yl]pentansäure SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

IUPAC-Name (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]phenanthren-17-yl]pentansäure
CAS 434-13-9
Molekulargewicht (g/mol) 376.57
SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Synonym (3α,5β)-3-Hydroxycholan-24-oic acid,17β-(1-Methyl-3-carboxypropyl)etiocholan-3α-ol,3-Hydroxycholan-24-oic acid,3α-Hydroxy-5β-cholan-24-oate,3α-Hydroxy-5β-cholan-24-oic acid,3α-Hydroxy-5β-cholanic acid,3α-Hydroxy-5β-cholanoic acid,3α-Hydroxycholanic acid,Lithocholic acid,NSC 683770
Summenformel C24 H40 O3
13

Isochenodeoxycholsäure, TRC

CAS: 566-24-5 Summenformel: C24H40O4 Molekulargewicht (g/mol): 392.57 Synonym: (3β,5β,7α)-3,7-Dihydroxycholan-24-oic Acid,3β,7α-Dihydroxy-5β-cholan-24-oic Acid,3β,7α-Dihydroxy-5β-cholanic Acid,3β,7α-Dihydroxy-5β-cholanoic Acid,3β-Chenodeoxycholic Acid,BAR601,Isochenodeoxycholic Acid; SMILES: O[C@H]1CC[C@@]2(C)[C@@](C[C@@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(O)=O)([H])C1

CAS 566-24-5
Molekulargewicht (g/mol) 392.57
SMILES O[C@H]1CC[C@@]2(C)[C@@](C[C@@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(O)=O)([H])C1
Synonym (3β,5β,7α)-3,7-Dihydroxycholan-24-oic Acid,3β,7α-Dihydroxy-5β-cholan-24-oic Acid,3β,7α-Dihydroxy-5β-cholanic Acid,3β,7α-Dihydroxy-5β-cholanoic Acid,3β-Chenodeoxycholic Acid,BAR601,Isochenodeoxycholic Acid;
Summenformel C24H40O4
14

Kalksäure, TRC

CAS: 71204-89-2 Summenformel: C23 H34 O4 Molekulargewicht (g/mol): 374.51 Synonym: 1H-Indene-1-propanoic acid, 4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-β,7a-dimethyl-, (βR,1R,3aS,4E,7aR)-,24-Nor-9,10-secochola-5,7,10(19)-trien-23-oic acid, 1,3-dihydroxy-, (1α,3β,5Z,7E)- (9CI),(βR,1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-β,7a-dimethyl-1H-indene-1-propanoic acid,1α-Hydroxycalcioic acid,Calcitroic acid,MC 1235 IUPAC-Name: (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-methylidenecyclohexyliden]Ethyliden]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]Butansäure SMILES: C[C@H](CC(=O)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C

IUPAC-Name (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-methylidenecyclohexyliden]Ethyliden]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]Butansäure
CAS 71204-89-2
Molekulargewicht (g/mol) 374.51
SMILES C[C@H](CC(=O)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C
Synonym 1H-Indene-1-propanoic acid, 4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-β,7a-dimethyl-, (βR,1R,3aS,4E,7aR)-,24-Nor-9,10-secochola-5,7,10(19)-trien-23-oic acid, 1,3-dihydroxy-, (1α,3β,5Z,7E)- (9CI),(βR,1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-β,7a-dimethyl-1H-indene-1-propanoic acid,1α-Hydroxycalcioic acid,Calcitroic acid,MC 1235
Summenformel C23 H34 O4
15

Glycoursodeoxychlorsäure, TRC

CAS: 64480-66-6 Summenformel: C26 H43 N O5 Molekulargewicht (g/mol): 449.62 Synonym: N-[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine,Glycoursodeoxycholic acid (6CI),N-[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine,3α,7β-Dihydroxy-5β-cholanoylglycine,Glycylursodeoxycholic acid,N-(3α,7β-Dihydroxy-5β-cholan-24-oyl)glycine,Ursodeoxycholylglycine IUPAC-Name: 2-[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoid]amino]essigsäure SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

IUPAC-Name 2-[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoid]amino]essigsäure
CAS 64480-66-6
Molekulargewicht (g/mol) 449.62
SMILES C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Synonym N-[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine,Glycoursodeoxycholic acid (6CI),N-[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine,3α,7β-Dihydroxy-5β-cholanoylglycine,Glycylursodeoxycholic acid,N-(3α,7β-Dihydroxy-5β-cholan-24-oyl)glycine,Ursodeoxycholylglycine
Summenformel C26 H43 N O5