Chem
J-GLOBAL ID：200907006641402328   Nikkaji number：J1.883.453G

3β-(α-L-Rhamnopyranosyloxy)-5,14,16β-trihydroxy-19-oxo-5β-bufa-20,22-dienolide

3β-(α-L-ラムノピラノシルオキシ)-5,14,16β-トリヒドロキシ-19-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： C30H42O11
Molecular formula furigana： C30-H42-O11
Molecular weight： 578.655
InChI： InChI=1S/C30H42O11/c1-15-23(34)24(35)25(36)26(40-15)41-17-5-9-28(14-31)18-6-8-27(2)22(16-3-4-21(33)39-13-16)20(32)12-30(27,38)19(18)7-10-29(28,37)11-17/h3-4,13-15,17-20,22-26,32,34-38H,5-12H2,1-2H3/t15-,17-,18-,19+,20-,22-,23-,24+,25+,26-,27+,28-,29-,30-/m0/s1
InChI key： QRFYVPVSGUSPHI-SEIYVQFCSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H]([C@@H](O)C[C@]5(O)[C@@H]4CC[C@]3(O)C2)c2ccc(=O)oc2)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-(α-L-ラムノピラノシルオキシ)-5,14,16β-トリヒドロキシ-19-オキソ-5β-ブファ-20,22-ジエノリド
  • (1R,2S,3aS,3bR,5aS,7S,9aS,9bS,11aR)-2,3a,5a-トリヒドロキシ-11a-メチル-1-(2-オキソ-2H-ピラン-5-イル)-7-{[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-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,2S,3aS,3bR,5aS,7S,9aS,9bS,11aR)-2,3a,5a-trihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-7-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
Other name (1)：
  • 3β-(α-L-Rhamnopyranosyloxy)-5,14,16β-trihydroxy-19-oxo-5β-bufa-20,22-dienolide
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