Chem
J-GLOBAL ID：200907066385806397   Nikkaji number：J2.050.112J

(20S)-7β-Acetoxy-20-hydroxy-3-oxochola-4-ene-24-oic acid 24,20-lactone

(20S)-7β-アセトキシ-20-ヒドロキシ-3-オキソコラ-4-エン-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： C26H36O5
Molecular formula furigana： C26-H36-O5
Molecular weight： 428.569
InChI： InChI=1S/C26H36O5/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/h13,18-21,23H,5-12,14H2,1-4H3/t18-,19-,20-,21-,23-,24-,25-,26-/m0/s1
InChI key： SCLDWHSDGNLOPJ-BGUCKZNVSA-N
SMILES： CC(=O)O[C@H]1CC2=CC(=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)-7β-アセトキシ-20-ヒドロキシ-3-オキソコラ-4-エン-24-酸24,20-ラクトン
  • (1S,3aS,3bS,4S,9aR,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-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-4-イル アセタート
  • (1S,3aS,3bS,4S,9aR,9bS,11aS)-9a,11a-dimethyl-1-[(2S)-2-methyl-5-oxooxolan-2-yl]-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate
Other name (1)：
  • (20S)-7β-Acetoxy-20-hydroxy-3-oxochola-4-ene-24-oic acid 24,20-lactone
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