Chem
J-GLOBAL ID:201107045687418982   Nikkaji number:J2.956.337C

ESQ-10

1-[3-O-(4-ヒドロキシシンナモイル)-β-D-グルコピラノシル]-1-(4-ヒドロキシ-3,5-ジメトキシフェニル)-1-プロパノール
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: C26H32O11
Molecular formula furigana: C26-H32-O11
Molecular weight: 520.530
InChI: InChI=1S/C26H32O11/c1-4-26(33,15-11-17(34-2)21(30)18(12-15)35-3)25-23(32)24(22(31)19(13-27)36-25)37-20(29)10-7-14-5-8-16(28)9-6-14/h5-12,19,22-25,27-28,30-33H,4,13H2,1-3H3/b10-7+/t19-,22-,23-,24+,25-,26?/m1/s1
InChI key: TYBXQJQCZZPMPZ-WDCISLFVSA-N
SMILES: CCC(O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]1O)c1cc(OC)c(O)c(OC)c1
Systematic name  (3):
  • 1-[3-O-(4-ヒドロキシシンナモイル)-β-D-グルコピラノシル]-1-(4-ヒドロキシ-3,5-ジメトキシフェニル)-1-プロパノール
  • (2R,3R,4S,5R,6R)-3,5-ジヒドロキシ-2-[1-ヒドロキシ-1-(4-ヒドロキシ-3,5-ジメトキシフェニル)プロピル]-6-(ヒドロキシメチル)オキサン-4-イル (2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノアート
  • (2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[1-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-6-(hydroxymethyl)oxan-4-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Other name (2):
  • 1-[3-O-(4-Hydroxycinnamoyl)-β-D-glucopyranosyl]-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanol
  • ESQ-10
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