Chem
J-GLOBAL ID:200907051156875078   Nikkaji number:J2.197.867A

3β,12β,14-Trihydroxy-11,19-dioxo-5β-bufa-20,22-dienolide

3β,12β,14-トリヒドロキシ-11,19-ジオキソ-5β-ブファ-20,22-ジエノリド
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: C24H30O7
Molecular formula furigana: C24-H30-O7
Molecular weight: 430.497
InChI: InChI=1S/C24H30O7/c1-22-16(13-2-5-18(27)31-11-13)7-9-24(22,30)17-4-3-14-10-15(26)6-8-23(14,12-25)19(17)20(28)21(22)29/h2,5,11-12,14-17,19,21,26,29-30H,3-4,6-10H2,1H3/t14-,15+,16-,17-,19-,21-,22+,23-,24+/m1/s1
InChI key: SYTBUNOXXOEKHK-YJSZOIENSA-N
SMILES: C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C=O)[C@H]1C(=O)[C@H]2O)c1ccc(=O)oc1
Systematic name  (3):
  • 3β,12β,14-トリヒドロキシ-11,19-ジオキソ-5β-ブファ-20,22-ジエノリド
  • (1R,3aS,3bR,5aR,7S,9aR,9bS,11S,11aS)-3a,7,11-トリヒドロキシ-11a-メチル-10-オキソ-1-(2-オキソ-2H-ピラン-5-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-9a-カルバルデヒド
  • (1R,3aS,3bR,5aR,7S,9aR,9bS,11S,11aS)-3a,7,11-trihydroxy-11a-methyl-10-oxo-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
Other name (1):
  • 3β,12β,14-Trihydroxy-11,19-dioxo-5β-bufa-20,22-dienolide
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