Chem
J-GLOBAL ID:200907051697709170   Nikkaji number:J2.304.898A

Primeverin

プリメベリン
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: C20H28O13
Molecular formula furigana: C20-H28-O13
Molecular weight: 476.431
InChI: InChI=1S/C20H28O13/c1-28-8-3-4-9(18(27)29-2)11(5-8)32-20-17(26)15(24)14(23)12(33-20)7-31-19-16(25)13(22)10(21)6-30-19/h3-5,10,12-17,19-26H,6-7H2,1-2H3/t10-,12-,13+,14-,15+,16-,17-,19+,20-/m1/s1
InChI key: DZRVGBRAMLSZDQ-HSMQXHTESA-N
SMILES: COC(=O)c1ccc(OC)cc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 4-メトキシ-2-[(6-O-β-D-キシロピラノシル-β-D-グルコピラノシル)オキシ]安息香酸メチル
  • メチル 4-メトキシ-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}ベンゾアート
  • methyl 4-methoxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate
Other name (3):
  • 4-Methoxy-2-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]benzoic acid methyl ester
  • プリメベリン
  • Primeverin
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