Chem
J-GLOBAL ID:200907000315849900   Nikkaji number:J1.477.285E

3β,14β-Dihydroxy-5β-carda-20(22)-enolide 3-acetate

3β,14β-ジヒドロキシ-5β-カルダ-20(22)-エノリド3-アセタート
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: C25H35O5[O-]
Molecular formula furigana: C25-H35-O6
Molecular weight: 431.550
InChI: InChI=1S/C25H36O6/c1-22-9-10-24(29,13-20(26)27)12-16(22)3-4-19-18(22)5-7-23(2)17(6-8-25(19,23)30)15-11-21(28)31-14-15/h11,16-19,29-30H,3-10,12-14H2,1-2H3,(H,26,27)/p-1/t16-,17-,18+,19-,22+,23-,24+,25+/m1/s1
InChI key: GCJCQOLFNBXRNA-CKQNLCNISA-M
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC(=O)[O-])CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
Systematic name  (3):
  • 3β,14β-ジヒドロキシ-5β-カルダ-20(22)-エノリド3-アセタート
  • 2-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a,7-ジヒドロキシ-9a,11a-ジメチル-1-(5-オキソ-2,5-ジヒドロフラン-3-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]アセタート
  • 2-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a,7-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]acetate
Other name (1):
  • 3β,14β-Dihydroxy-5β-carda-20(22)-enolide 3-acetate
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