Chem
J-GLOBAL ID：200907055831094132   Nikkaji number：J91.747H

19-Oxocinobufagin

19-オキソシノブファギン
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： C26H32O7
Molecular formula furigana： C26-H32-O7
Molecular weight： 456.535
InChI： InChI=1S/C26H32O7/c1-14(28)32-22-21(15-3-6-20(30)31-12-15)24(2)9-8-18-19(26(24)23(22)33-26)5-4-16-11-17(29)7-10-25(16,18)13-27/h3,6,12-13,16-19,21-23,29H,4-5,7-11H2,1-2H3/t16-,17+,18+,19-,21+,22-,23-,24-,25-,26-/m1/s1
InChI key： FRUGXBQKMCOIBP-CDIOGTMDSA-N
SMILES： CC(=O)O[C@H]1[C@H]2O[C@@]32[C@@H]2CC[C@@H]4C[C@@H](O)CC[C@]4(C=O)[C@H]2CC[C@]3(C)[C@H]1c1ccc(=O)oc1
Systematic name  (3)：
  • 16β-(アセチルオキシ)-14,15β-エポキシ-3β-ヒドロキシ-19-オキソ-5β-ブファ-20,22-ジエノリド
  • (1R,2S,4R,5R,6R,7R,10S,11R,14S,16R)-11-ホルミル-14-ヒドロキシ-7-メチル-6-(2-オキソ-2H-ピラン-5-イル)-3-オキサペンタシクロ[8.8.0.02,4.02,7.011,16]オクタデカン-5-イル アセタート
  • (1R,2S,4R,5R,6R,7R,10S,11R,14S,16R)-11-formyl-14-hydroxy-7-methyl-6-(2-oxo-2H-pyran-5-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl acetate
Other name (3)：
  • 19-オキソシノブファギン
  • 19-Oxocinobufagin
  • 16β-(Acetyloxy)-14,15β-epoxy-3β-hydroxy-19-oxo-5β-bufa-20,22-dienolide
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM