Chem
J-GLOBAL ID：200907029451871801   Nikkaji number：J761.707K

Macrophylloside D

マクロフィロシドD
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： C25H34O14
Molecular formula furigana： C25-H34-O14
Molecular weight： 558.533
InChI： InChI=1S/C25H34O14/c1-25(2)5-4-10-6-11(13(34-3)7-12(10)39-25)22(33)38-24-21(32)19(30)17(28)15(37-24)9-35-23-20(31)18(29)16(27)14(8-26)36-23/h4-7,14-21,23-24,26-32H,8-9H2,1-3H3/t14-,15-,16-,17-,18+,19+,20-,21-,23-,24+/m1/s1
InChI key： BKABLXWGRDWHDB-GWOWOUNZSA-N
SMILES： COc1cc2OC(C)(C)C=Cc2cc1C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 1-O-[(7-メトキシ-2,2-ジメチル-2H-1-ベンゾピラン-6-イル)カルボニル]-6-O-(β-D-グルコピラノシル)-β-D-グルコピラノース
  • 1-O-[(2,2-ジメチル-7-メトキシ-2H-1-ベンゾピラン-6-イル)カルボニル]-6-O-β-D-グルコピラノシル-β-D-グルコピラノース
  • (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(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}メチル)オキサン-2-イル 7-メトキシ-2,2-ジメチル-2H-クロメン-6-カルボキシラート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 7-methoxy-2,2-dimethyl-2H-chromene-6-carboxylate
Other name (4)：
  • 1-O-[(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)carbonyl]-6-O-(β-D-glucopyranosyl)-β-D-glucopyranose
  • 1-O-[(2,2-Dimethyl-7-methoxy-2H-1-benzopyran-6-yl)carbonyl]-6-O-β-D-glucopyranosyl-β-D-glucopyranose
  • マクロフィロシドD
  • Macrophylloside D
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