Chem
J-GLOBAL ID：200907035458284154   Nikkaji number：J1.217.216H

(2Z)-2-(Hydroxymethyl)-2-butenoic acid (2R,4E)-2-[(R)-(3,4-dimethoxyphenyl)hydroxymethyl]-5-(4-methoxyphenyl)-4-pentenyl ester

(2Z)-2-(ヒドロキシメチル)-2-ブテン酸(2R,4E)-2-[(R)-(3,4-ジメトキシフェニル)ヒドロキシメチル]-5-(4-メトキシフェニル)-4-ペンテニル
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： C26H32O7
Molecular formula furigana： C26-H32-O7
Molecular weight： 456.535
InChI： InChI=1S/C26H32O7/c1-5-19(16-27)26(29)33-17-21(8-6-7-18-9-12-22(30-2)13-10-18)25(28)20-11-14-23(31-3)24(15-20)32-4/h5-7,9-15,21,25,27-28H,8,16-17H2,1-4H3/b7-6+,19-5-/t21-,25+/m1/s1
InChI key： UKSHTLLRKNYMEI-OZENSZHKSA-N
SMILES： COc1ccc(/C=C/C[C@H](COC(=O)/C(=C\C)/CO)[C@@H](O)c2ccc(OC)c(OC)c2)cc1
Systematic name  (3)：
  • (2Z)-2-(ヒドロキシメチル)-2-ブテン酸(2R,4E)-2-[(R)-(3,4-ジメトキシフェニル)ヒドロキシメチル]-5-(4-メトキシフェニル)-4-ペンテニル
  • (2R,3R)-3-(3,4-ジメトキシフェニル)-3-ヒドロキシ-2-[(2E)-3-(4-メトキシフェニル)プロパ-2-エン-1-イル]プロピル (2Z)-2-(ヒドロキシメチル)ブタ-2-エノアート
  • (2R,3R)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]propyl (2Z)-2-(hydroxymethyl)but-2-enoate
Other name (1)：
  • (2Z)-2-(Hydroxymethyl)-2-butenoic acid (2R,4E)-2-[(R)-(3,4-dimethoxyphenyl)hydroxymethyl]-5-(4-methoxyphenyl)-4-pentenyl ester
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