Chem
J-GLOBAL ID：200907029413724170   Nikkaji number：J1.322.135I

3α-Ol-5α-24-cholanoic acid methyl ester

3α-オール-5α-24-コラン酸メチルエステル
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(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-22,26H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,24+,25-/m1/s1
InChI key： YXZVCZUDUJEPPK-IZZHPKMPSA-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]3CC[C@]12C
Systematic name  (3)：
  • 3α-ヒドロキシ-5α-コラン-24-酸メチル
  • メチル (4R)-4-[(1R,3aS,3bR,5aS,7R,9aS,9bS,11aR)-7-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,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
Other name (3)：
  • 3α-Hydroxy-5α-cholane-24-oic acid methyl ester
  • 3α-オール-5α-24-コラン酸メチルエステル
  • 3α-Ol-5α-24-cholanoic acid methyl ester
Thsaurus map：
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