Chem
J-GLOBAL ID：200907086669349949
Nikkaji number：J1.680.396K
4-Hydroxy-trans-cinnamic acid 4-[1-(α,4-dihydroxy-3-methoxybenzyl)-2-(4-hydroxy-trans-cinnamoyloxy)ethoxy]-3,5-dimethoxy-trans-cinnamyl ester
4-ヒドロキシ-trans-けい皮酸4-[1-(α,4-ジヒドロキシ-3-メトキシベンジル)-2-(4-ヒドロキシ-trans-シンナモイルオキシ)エトキシ]-3,5-ジメトキシ-trans-シンナミル
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
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
Molecular formula： C39H38O12
Molecular formula furigana： C39-H38-O12
Molecular weight： 698.721
InChI：
InChI=1S/C39H38O12/c1-46-32-23-28(12-17-31(32)42)38(45)35(24-50-37(44)19-11-26-8-15-30(41)16-9-26)51-39-33(47-2)21-27(22-34(39)48-3)5-4-20-49-36(43)18-10-25-6-13-29(40)14-7-25/h4-19,21-23,35,38,40-42,45H,20,24H2,1-3H3/b5-4+,18-10+,19-11+
InChI key：
IKHAPHPJWABCCU-WGSZPKJISA-N
SMILES：
COc1cc(ccc1O)C(O)C(COC(=O)/C=C/c1ccc(O)cc1)Oc1c(OC)cc(/C=C/COC(=O)/C=C/c2ccc(O)cc2)cc1OC
Systematic name (3)：
- 4-ヒドロキシ-trans-けい皮酸4-[1-(α,4-ジヒドロキシ-3-メトキシベンジル)-2-(4-ヒドロキシ-trans-シンナモイルオキシ)エトキシ]-3,5-ジメトキシ-trans-シンナミル
- (2E)-3-(4-{[1-ヒドロキシ-1-(4-ヒドロキシ-3-メトキシフェニル)-3-{[(2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノイル]オキシ}プロパン-2-イル]オキシ}-3,5-ジメトキシフェニル)プロパ-2-エン-1-イル (2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノアート
- (2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
- 4-Hydroxy-trans-cinnamic acid 4-[1-(α,4-dihydroxy-3-methoxybenzyl)-2-(4-hydroxy-trans-cinnamoyloxy)ethoxy]-3,5-dimethoxy-trans-cinnamyl ester
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