Chem
J-GLOBAL ID:200907026359712560   Nikkaji number:J119.066K

Drebyssogenin J

ドレビスソゲニンJ
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: C25H38O7
Molecular formula furigana: C25-H38-O7
Molecular weight: 450.572
InChI: InChI=1S/C25H38O7/c1-13(26)18-9-11-25(30)19-7-6-16-12-17(29)8-10-23(16,4)20(19)21(31-14(2)27)22(24(18,25)5)32-15(3)28/h6,13,17-22,26,29-30H,7-12H2,1-5H3/t13?,17-,18+,19+,20+,21-,22+,23-,24-,25-/m0/s1
InChI key: CWEANCOHUGXOCA-DKZXGKESSA-N
SMILES: CC(O)[C@H]1CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@]12C
Systematic name  (3):
  • プレグナ-5-エン-3β,11α,12β,14β,20-ペンタオール11,12-ジアセタート
  • (1S,3aS,3bR,7S,9aR,9bS,10S,11S,11aS)-10-(アセチルオキシ)-3a,7-ジヒドロキシ-1-(1-ヒドロキシエチル)-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-11-イル アセタート
  • (1S,3aS,3bR,7S,9aR,9bS,10S,11S,11aS)-10-(acetyloxy)-3a,7-dihydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl acetate
Other name (3):
  • Drebyssogenin J
  • ドレビスソゲニンJ
  • Pregn-5-ene-3β,11α,12β,14β,20-pentol 11,12-diacetate
CAS registry number: 20230-39-1
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