Chem
J-GLOBAL ID：200907013111779559   Nikkaji number：J2.407.611C

[3-O,4-O-Bis(3,4-dihydroxycinnamoyl)-1,7-anhydro-α-D-glycero-D-galacto-heptopyranose-1-yl]formic acid

[3-O,4-O-ビス(3,4-ジヒドロキシシンナモイル)-1,7-アンヒドロ-α-D-glycero-D-galacto-ヘプトピラノース-1-イル]ぎ酸
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： C26H24O14
Molecular formula furigana： C26-H24-O14
Molecular weight： 560.464
InChI： InChI=1S/C26H24O14/c27-14-5-1-12(9-16(14)29)3-7-19(32)38-22-21-18(31)11-37-26(40-21,25(35)36)24(34)23(22)39-20(33)8-4-13-2-6-15(28)17(30)10-13/h1-10,18,21-24,27-31,34H,11H2,(H,35,36)/b7-3+,8-4+/t18-,21-,22+,23+,24-,26-/m1/s1
InChI key： VEZSQCUMLXQFGS-AFNMVSTESA-N
SMILES： O[C@@H]1CO[C@]2(O[C@H]1[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]2O)C(=O)O
Systematic name  (3)：
  • [3-O,4-O-ビス(3,4-ジヒドロキシシンナモイル)-1,7-アンヒドロ-α-D-glycero-D-galacto-ヘプトピラノース-1-イル]ぎ酸
  • (1R,4R,5R,6S,7R,8R)-6,7-ビス({[(2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ})-4,8-ジヒドロキシ-2,9-ジオキサビシクロ[3.3.1]ノナン-1-カルボン酸
  • (1R,4R,5R,6S,7R,8R)-6,7-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,8-dihydroxy-2,9-dioxabicyclo[3.3.1]nonane-1-carboxylic acid
Other name (1)：
  • [3-O,4-O-Bis(3,4-dihydroxycinnamoyl)-1,7-anhydro-α-D-glycero-D-galacto-heptopyranose-1-yl]formic acid
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