Chem
J-GLOBAL ID：200907089670378854   Nikkaji number：J2.050.107C

(20S)-7α-Acetoxy-20-hydroxy-3-oxo-5β-cholane-24-oic acid 24,20-lactone

(20S)-7α-アセトキシ-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： C26H38O5
Molecular formula furigana： C26-H38-O5
Molecular weight： 430.585
InChI： InChI=1S/C26H38O5/c1-15(27)30-20-14-16-13-17(28)7-10-24(16,2)19-8-11-25(3)18(23(19)20)5-6-21(25)26(4)12-9-22(29)31-26/h16,18-21,23H,5-14H2,1-4H3/t16-,18-,19-,20+,21-,23-,24-,25-,26-/m0/s1
InChI key： GJBZIMYSRMHYJO-YGPSKTFNSA-N
SMILES： CC(=O)O[C@@H]1C[C@@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@]3(C)CCC(=O)O3)[C@H]12
Systematic name  (3)：
  • (20S)-7α-アセトキシ-20-ヒドロキシ-3-オキソ-5β-コラン-24-酸24,20-ラクトン
  • (1S,3aS,3bR,4R,5aR,9aS,9bS,11aS)-9a,11a-ジメチル-1-[(2S)-2-メチル-5-オキソオキソラン-2-イル]-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-4-イル アセタート
  • (1S,3aS,3bR,4R,5aR,9aS,9bS,11aS)-9a,11a-dimethyl-1-[(2S)-2-methyl-5-oxooxolan-2-yl]-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-4-yl acetate
Other name (1)：
  • (20S)-7α-Acetoxy-20-hydroxy-3-oxo-5β-cholane-24-oic acid 24,20-lactone
Thsaurus map：
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