Chem
J-GLOBAL ID：200907096513535365   Nikkaji number：J496.507H

3β,12α-Dihydroxy-5β-cholan-24-oic acid methyl ester

3β,12α-ジヒドロキシ-5β-コラン-24-酸メチル
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： C25H42O4
Molecular formula furigana： C25-H42-O4
Molecular weight： 406.607
InChI： InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18+,19-,20+,21+,22+,24+,25-/m1/s1
InChI key： ZHUOOEGSSFNTNP-WIQCXVCASA-N
SMILES： COC(=O)CC[C@@H](C)[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
Systematic name  (3)：
  • 3β,12α-ジヒドロキシ-5β-コラン-24-酸メチル
  • メチル (4R)-4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11S,11aR)-7,11-ジヒドロキシ-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]ペンタノアート
  • methyl (4R)-4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
Other name (1)：
  • 3β,12α-Dihydroxy-5β-cholan-24-oic acid methyl ester
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