Chem
J-GLOBAL ID：200907003498527085   Nikkaji number：J2.050.105G

(20S)-20-Hydroxy-3-oxo-5β-cholane-24-oic acid 24,20-lactone

(20S)-20-ヒドロキシ-3-オキソ-5β-コラン-24-酸24,20-ラクトン
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： C24H36O3
Molecular formula furigana： C24-H36-O3
Molecular weight： 372.549
InChI： InChI=1S/C24H36O3/c1-22-11-8-16(25)14-15(22)4-5-17-18-6-7-20(23(18,2)12-9-19(17)22)24(3)13-10-21(26)27-24/h15,17-20H,4-14H2,1-3H3/t15-,17+,18+,19+,20+,22+,23+,24+/m1/s1
InChI key： AFHABPUJVBGEFY-FDKRWHBGSA-N
SMILES： C[C@]1(CCC(=O)O1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (20S)-20-ヒドロキシ-3-オキソ-5β-コラン-24-酸24,20-ラクトン
  • (5S)-5-[(1S,3aS,3bR,5aR,9aS,9bS,11aS)-9a,11a-ジメチル-7-オキソ-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]-5-メチルオキソラン-2-オン
  • (5S)-5-[(1S,3aS,3bR,5aR,9aS,9bS,11aS)-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-5-methyloxolan-2-one
Other name (1)：
  • (20S)-20-Hydroxy-3-oxo-5β-cholane-24-oic acid 24,20-lactone
Thsaurus map：
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