Registration Dossier
Registration Dossier
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EC number: 201-337-8 | CAS number: 81-25-4
Reference substances
- IUPAC name:
- 3,7,12-trihydroxycholan-24-oic acid
Inventory
- EC number:
- 201-337-8
- EC name:
- Cholic acid
- CAS number:
- 81-25-4
- CAS number:
- 81-25-4
Synonyms
- Names:
- 17b-[1-Methyl-3-carboxypropyl]etiocholane-3a, 7a, 12a-triol
- 3a,7a,12a-Trihydroxy-5b-cholan-24-oic acid
- 3a,7a,12a-Trihydroxy-5b-cholanic acid
- 3a,7a,12a-Trihydroxy-5b-cholanoic acid
- 3a,7a,12a-Trihydroxy-b-cholanic acid
- 3a,7a,12a-Trihydroxycholanic acid
- 5b-Cholanic acid, 3a,7a,12a-trihydroxy-
- 5b-Cholanic acid-3a,7a,12a-triol
- 5b-Cholic acid
- Cholalic acid
- Cholalin
- Cholan-24-oic acid, 3,7,12-trihydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
- Cholan-24-oic acid, 3,7,12-trihydroxy-, (3?,5ß,7?,12?)-
- Colalin
- E 1000
- NSC-6135
- Identifier:
- IUPAC name
- (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
- Identifier:
- common name
- 3,7,12-trihydroxycholan-24-oic acid
- Identifier:
- other: SMILES notation
- 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
- 3,7,12-trihydroxycholan-24-oic acid
Molecular and structural information
- Molecular formula:
- C24H40O5
- Molecular weight:
- 408.571
- SMILES notation:
- 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
- InChl:
- InChI=1/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)
- Structural formula:
Related substances
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