Chem
J-GLOBAL ID：200907084306469834   Nikkaji number：J1.104.770J

Isoamericanin A

イソアメリカニンA
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： C18H16O6
Molecular formula furigana： C18-H16-O6
Molecular weight： 328.320
InChI： InChI=1S/C18H16O6/c19-7-1-2-11-3-6-15-16(8-11)24-18(17(10-20)23-15)12-4-5-13(21)14(22)9-12/h1-9,17-18,20-22H,10H2/b2-1+/t17-,18-/m1/s1
InChI key： SDDXIQONGFZHJH-ZHEVZCJESA-N
SMILES： OC[C@H]1Oc2ccc(/C=C/C=O)cc2O[C@@H]1c1ccc(O)c(O)c1
Systematic name  (3)：
  • (2R)-3β-(3,4-ジヒドロキシフェニル)-6-[(E)-2-ホルミルビニル]-2,3-ジヒドロ-1,4-ベンゾジオキシン-2α-メタノール
  • (2E)-3-[(2R,3R)-3-(3,4-ジヒドロキシフェニル)-2-(ヒドロキシメチル)-2,3-ジヒドロ-1,4-ベンゾジオキシン-6-イル]プロパ-2-エナール
  • (2E)-3-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
Other name (3)：
  • (2R)-3β-(3,4-Dihydroxyphenyl)-6-[(E)-2-formylvinyl]-2,3-dihydro-1,4-benzodioxin-2α-methanol
  • Isoamericanin A
  • イソアメリカニンA
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