Chem
J-GLOBAL ID:200907036741727450
Nikkaji number:J1.217.222B
(2Z)-2-(Hydroxymethyl)-2-butenoic acid (2R,4E)-2-[(R)-(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(2R,4E)-2-[(R)-(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
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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:
C27 H34 O8
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+/m1/s1
InChI key:
BQQFAOMDYVWPBU-CSNIFZOHSA-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(2R,4E)-2-[(R)-(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
(2R,3R)-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
(2R,3R)-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 (2R,4E)-2-[(R)-(3,4-dimethoxyphenyl)hydroxymethyl]-5-(3,4-dimethoxyphenyl)-4-pentenyl ester
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