Chem
J-GLOBAL ID:200907022870107874   Nikkaji number:J1.846.192G

11β,13-Dihydroxydesacylcynaropicrin 8-O-β-D-gucoside

11β,13-ジヒドロデスアシルシナロピクリン8-O-β-D-グルコシド
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: C21H30O9
Molecular formula furigana: C21-H30-O9
Molecular weight: 426.462
InChI: InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1
InChI key: FPYNOEOJFQHIMK-ARUCPLGTSA-N
SMILES: C[C@H]1[C@H]2[C@H](OC1=O)[C@@H]1[C@@H](C[C@H](O)C1=C)C(=C)C[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (5):
  • (3S,3aβ,6aβ,9aβ,9bα)-3β-メチル-4β-(β-D-グルコピラノシルオキシ)-6,9-ジメチレン-8α-ヒドロキシドデカヒドロアズレノ[4,5-b]フラン-2-オン
  • (3S)-3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-デカヒドロ-3-メチル-4β-(β-D-グルコピラノシルオキシ)-6,9-ビスメチレン-8α-ヒドロキシアズレノ[4,5-b]フラン-2(3H)-オン
  • (3S,3aR,4S,6aR,8S,9aR,9bR)-8-ヒドロキシ-4-(β-D-グルコピラノシルオキシ)-3a,4,5,6,6a,7,8,9,9a,9b-デカヒドロ-6,9-ビスメチレン-3-メチルアズレノ[4,5-b]フラン-2(3H)-オン
  • (3S,3aR,4S,6aR,8S,9aR,9bR)-8-ヒドロキシ-3-メチル-6,9-ジメチリデン-4-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-ドデカヒドロアズレノ[4,5-b]フラン-2-オン
  • (3S,3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3-methyl-6,9-dimethylidene-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-2-one
Other name (5):
  • (3S,3aβ,6aβ,9aβ,9bα)-3β-Methyl-4β-(β-D-glucopyranosyloxy)-6,9-dimethylene-8α-hydroxydodecahydroazuleno[4,5-b]furan-2-one
  • (3S)-3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-Decahydro-3-methyl-4β-(β-D-glucopyranosyloxy)-6,9-bismethylene-8α-hydroxyazuleno[4,5-b]furan-2(3H)-one
  • (3S,3aR,4S,6aR,8S,9aR,9bR)-8-Hydroxy-4-(β-D-glucopyranosyloxy)-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-6,9-bismethylene-3-methylazuleno[4,5-b]furan-2(3H)-one
  • 11β,13-ジヒドロデスアシルシナロピクリン8-O-β-D-グルコシド
  • 11β,13-Dihydroxydesacylcynaropicrin 8-O-β-D-gucoside
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