Chem
J-GLOBAL ID：201207057188883149   Nikkaji number：J3.029.161A

Deacetylmatricarin 8-O-β-D-glucopyranoside

デアセチルマトリカリン8-O-β-D-グルコピラノシド
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： C21H28O9
Molecular formula furigana： C21-H28-O9
Molecular weight： 424.446
InChI： InChI=1S/C21H28O9/c1-7-4-10(23)13-8(2)5-11(15-9(3)20(27)30-19(15)14(7)13)28-21-18(26)17(25)16(24)12(6-22)29-21/h4,9,11-12,14-19,21-22,24-26H,5-6H2,1-3H3/t9-,11-,12+,14-,15+,16+,17-,18+,19+,21+/m0/s1
InChI key： HUJZRYXCOXOEHU-DFLCKBGMSA-N
SMILES： C[C@H]1[C@H]2[C@H](OC1=O)[C@H]1C(=CC(=O)C1=C(C)C[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C
Systematic name  (3)：
  • (3S)-4β-(β-D-グルコピラノシルオキシ)-3,3aβ,4,5,9aβ,9bα-ヘキサヒドロ-3β,6,9-トリメチルアズレノ[4,5-b]フラン-2,7-ジオン
  • (3S,3aR,4S,9aS,9bR)-3,6,9-トリメチル-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}-2H,3H,3aH,4H,5H,7H,9aH,9bH-アズレノ[4,5-b]フラン-2,7-ジオン
  • (3S,3aR,4S,9aS,9bR)-3,6,9-trimethyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione
Other name (3)：
  • (3S)-4β-(β-D-Glucopyranosyloxy)-3,3aβ,4,5,9aβ,9bα-hexahydro-3β,6,9-trimethylazuleno[4,5-b]furan-2,7-dione
  • デアセチルマトリカリン8-O-β-D-グルコピラノシド
  • Deacetylmatricarin 8-O-β-D-glucopyranoside
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