Chem
J-GLOBAL ID：200907044693645783
Nikkaji number：J8.604E
Cholic acid
コール酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C24H40O5
Molecular formula furigana： C24-H40-O5
Molecular weight： 408.579
InChI：
InChI=1S/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)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChI key：
BHQCQFFYRZLCQQ-OELDTZBJSA-N
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
Systematic name (5)：
- (3α)-コール酸
- 3α,7α,12α-トリヒドロキシ-5β-コラン-24-酸
- 3α,7α,12α-トリヒドロキシ-5β-コラン酸
- (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-トリヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]ペンタン酸
- (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
- コール酸
- コラリン
- コーラル酸
- Colalin
- Cholic acid
Show all
Regulation number (5)：
- 7-(1)-339
- (4)-787
- FZ9350000
- EINECS2013378
- TSCA(81-25-4)
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