Chem
J-GLOBAL ID:200907026939249787   Nikkaji number:J11.341G

Arenobufagin

アレノブファギン
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: C24H32O6
Molecular formula furigana: C24-H32-O6
Molecular weight: 416.514
InChI: InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19-20,25,27,29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,20+,22+,23+,24+/m1/s1
InChI key: JGDCRWYOMWSTFC-AZGSIFHYSA-N
SMILES: C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1[C@H](O)C2=O)c1ccc(=O)oc1
Systematic name  (3):
  • 3β,11α,14-トリヒドロキシ-12-オキソ-5β-ブファ-20,22-ジエノリド
  • 5-[(1R,3aS,3bR,5aR,7S,9aS,9bS,10S,11aR)-3a,7,10-トリヒドロキシ-9a,11a-ジメチル-11-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-1-イル]-2H-ピラン-2-オン
  • 5-[(1R,3aS,3bR,5aR,7S,9aS,9bS,10S,11aR)-3a,7,10-trihydroxy-9a,11a-dimethyl-11-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2H-pyran-2-one
Other name (3):
  • アレノブファギン
  • Arenobufagin
  • 3β,11α,14-Trihydroxy-12-oxo-5β-bufa-20,22-dienolide
CAS registry number: 464-74-4
Regulation number (1):
  • EI2996000
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