Chem
J-GLOBAL ID：200907042787905786   Nikkaji number：J1.175.740E

12β-Methyl-3-oxo-18-nor-5β-chola-13-ene-24-oic acid methyl ester

12β-メチル-3-オキソ-18-ノル-5β-コラ-13-エン-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： C25H38O3
Molecular formula furigana： C25-H38-O3
Molecular weight： 386.576
InChI： InChI=1S/C25H38O3/c1-15(5-10-23(27)28-4)19-8-9-21-20-7-6-17-14-18(26)11-12-25(17,3)22(20)13-16(2)24(19)21/h15-17,19-20,22H,5-14H2,1-4H3/t15-,16-,17-,19-,20+,22+,25+/m1/s1
InChI key： AJJVPINGMANLJF-GJSRZHBMSA-N
SMILES： COC(=O)CC[C@@H](C)[C@H]1CCC2=C1[C@H](C)C[C@H]1[C@H]2CC[C@@H]2CC(=O)CC[C@]12C
Systematic name  (4)：
  • 12β-メチル-3-オキソ-18-ノル-5β-コラ-13-エン-24-酸メチル
  • 3-オキソ-12β-メチル-18-ノル-5β-コラン-13-エン-24-酸メチル
  • メチル (4R)-4-[(1R,3bR,5aR,9aS,9bS,11R)-9a,11-ジメチル-7-オキソ-1H,2H,3H,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-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,3bR,5aR,9aS,9bS,11R)-9a,11-dimethyl-7-oxo-1H,2H,3H,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]pentanoate
Other name (2)：
  • 12β-Methyl-3-oxo-18-nor-5β-chola-13-ene-24-oic acid methyl ester
  • 3-Oxo-12β-methyl-18-nor-5β-cholane-13-ene-24-oic acid methyl ester
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