Chem
J-GLOBAL ID：200907029531404562   Nikkaji number：J121.661I

12α-Hydroxy-5β-cholan-24-oic acid methyl ester

12α-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： C25H42O3
Molecular formula furigana： C25-H42-O3
Molecular weight： 390.608
InChI： InChI=1S/C25H42O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h16-22,26H,5-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22+,24+,25-/m1/s1
InChI key： FKEDTKXWEOKYFM-HFCBJCDPSA-N
SMILES： COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • 12α-ヒドロキシ-5β-コラン-24-酸メチル
  • メチル (4R)-4-[(1R,3aS,3bR,5aS,9aS,9bS,11S,11aR)-11-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,5aS,9aS,9bS,11S,11aR)-11-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
Other name (1)：
  • 12α-Hydroxy-5β-cholan-24-oic acid methyl ester
CAS registry number： 1249-70-3
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