Chem
J-GLOBAL ID：200907005431873534   Nikkaji number：J2.050.111A

(20S)-7α,12α-Diacetoxy-5β,20-dihydroxy-3-oxocholane-24-oic acid 24,20-lactone

(20S)-7α,12α-ジアセトキシ-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： C28H40O8
Molecular formula furigana： C28-H40-O8
Molecular weight： 504.620
InChI： InChI=1S/C28H40O8/c1-15(29)34-20-14-28(33)13-17(31)8-10-25(28,3)19-12-22(35-16(2)30)27(5)18(24(19)20)6-7-21(27)26(4)11-9-23(32)36-26/h18-22,24,33H,6-14H2,1-5H3/t18-,19-,20+,21+,22-,24-,25+,26-,27-,28+/m0/s1
InChI key： YPPDIGHWJOQMHY-UTWFKMRHSA-N
SMILES： CC(=O)O[C@@H]1C[C@]2(O)CC(=O)CC[C@]2(C)[C@H]2C[C@H](OC(=O)C)[C@@]3(C)[C@@H](CC[C@@H]3[C@]3(C)CCC(=O)O3)[C@H]12
Systematic name  (3)：
  • (20S)-7α,12α-ジアセトキシ-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,11S,11aS)-4-(アセチルオキシ)-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-11-イル アセタート
  • (1S,3aS,3bS,4R,5aS,9aR,9bS,11S,11aS)-4-(acetyloxy)-5a-hydroxy-9a,11a-dimethyl-1-[(2S)-2-methyl-5-oxooxolan-2-yl]-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl acetate
Other name (1)：
  • (20S)-7α,12α-Diacetoxy-5β,20-dihydroxy-3-oxocholane-24-oic acid 24,20-lactone
Thsaurus map：
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