Chem
J-GLOBAL ID：200907069885774466   Nikkaji number：J2.050.110C

(20S)-7α-Acetoxy-5β,20-dihydroxy-3-oxocholane-24-oic acid 24,20-lactone

(20S)-7α-アセトキシ-5β,20-ジヒドロキシ-3-オキソコラン-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： C26H38O6
Molecular formula furigana： C26-H38-O6
Molecular weight： 446.584
InChI： InChI=1S/C26H38O6/c1-15(27)31-19-14-26(30)13-16(28)7-11-24(26,3)18-8-10-23(2)17(22(18)19)5-6-20(23)25(4)12-9-21(29)32-25/h17-20,22,30H,5-14H2,1-4H3/t17-,18-,19+,20-,22-,23-,24+,25-,26+/m0/s1
InChI key： AHAPFPNRRAOEIB-YEMJVQADSA-N
SMILES： CC(=O)O[C@@H]1C[C@]2(O)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)-7α-アセトキシ-5β,20-ジヒドロキシ-3-オキソコラン-24-酸24,20-ラクトン
  • (1S,3aS,3bS,4R,5aS,9aR,9bS,11aS)-5a-ヒドロキシ-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,3bS,4R,5aS,9aR,9bS,11aS)-5a-hydroxy-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-5β,20-dihydroxy-3-oxocholane-24-oic acid 24,20-lactone
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