Chem
J-GLOBAL ID：200907008590578330   Nikkaji number：J392.575G

2β,3α,7α,12α-Tetrahydroxy-5β-cholan-24-oic acid

2β,3α,7α,12α-テトラヒドロキシ-5β-コラン-24-酸
Substance type：
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
Molecular formula： C24H40O6
Molecular formula furigana： C24-H40-O6
Molecular weight： 424.578
InChI： InChI=1S/C24H40O6/c1-12(4-7-21(29)30)14-5-6-15-22-16(10-20(28)24(14,15)3)23(2)11-19(27)17(25)8-13(23)9-18(22)26/h12-20,22,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14-,15+,16+,17+,18-,19+,20+,22+,23+,24-/m1/s1
InChI key： IMMADCCLTPCOKH-HNWZYOJHSA-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)[C@@H](O)C[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • 2β,3α,7α,12α-テトラヒドロキシ-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bR,4R,5aR,7S,8S,9aS,9bS,11S,11aR)-4,7,8,11-テトラヒドロキシ-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,5aR,7S,8S,9aS,9bS,11S,11aR)-4,7,8,11-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (1)：
  • 2β,3α,7α,12α-Tetrahydroxy-5β-cholan-24-oic acid
Thsaurus map：
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