Chem
J-GLOBAL ID：200907003688587718   Nikkaji number：J1.217.223K

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

(2Z)-2-(ヒドロキシメチル)-2-ブテン酸(2S,4E)-2-[(S)-(3,4-ジメトキシフェニル)ヒドロキシメチル]-5-(3,4-ジメトキシフェニル)-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： C27H34O8
Molecular formula furigana： C27-H34-O8
Molecular weight： 486.561
InChI： InChI=1S/C27H34O8/c1-6-19(16-28)27(30)35-17-21(26(29)20-11-13-23(32-3)25(15-20)34-5)9-7-8-18-10-12-22(31-2)24(14-18)33-4/h6-8,10-15,21,26,28-29H,9,16-17H2,1-5H3/b8-7+,19-6-/t21-,26+/m0/s1
InChI key： BQQFAOMDYVWPBU-JKCKHMIISA-N
SMILES： COc1ccc(/C=C/C[C@@H](COC(=O)/C(=C\C)/CO)[C@H](O)c2ccc(OC)c(OC)c2)cc1OC
Systematic name  (3)：
  • (2Z)-2-(ヒドロキシメチル)-2-ブテン酸(2S,4E)-2-[(S)-(3,4-ジメトキシフェニル)ヒドロキシメチル]-5-(3,4-ジメトキシフェニル)-4-ペンテニル
  • (2S,3S)-3-(3,4-ジメトキシフェニル)-2-[(2E)-3-(3,4-ジメトキシフェニル)プロパ-2-エン-1-イル]-3-ヒドロキシプロピル (2Z)-2-(ヒドロキシメチル)ブタ-2-エノアート
  • (2S,3S)-3-(3,4-dimethoxyphenyl)-2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]-3-hydroxypropyl (2Z)-2-(hydroxymethyl)but-2-enoate
Other name (1)：
  • (2Z)-2-(Hydroxymethyl)-2-butenoic acid (2S,4E)-2-[(S)-(3,4-dimethoxyphenyl)hydroxymethyl]-5-(3,4-dimethoxyphenyl)-4-pentenyl ester
Thsaurus map：
Thesaurus Map

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