Chem
J-GLOBAL ID：201307039136672629
Nikkaji number：J3.178.263E
(E)-3-[3-[(1R,2S)-1-Carboxy-2-hydroxy-2-(3,4-dihydroxyphenyl)ethoxy]-4-hydroxyphenyl]propenoic acid 1-[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester
(E)-3-[3-[(1R,2S)-1-カルボキシ-2-ヒドロキシ-2-(3,4-ジヒドロキシフェニル)エトキシ]-4-ヒドロキシフェニル]プロペン酸1-[(R)-1-カルボキシ-2-(3,4-ジヒドロキシフェニル)エチル]
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： C27H24O13
Molecular formula furigana： C27-H24-O13
Molecular weight： 556.476
InChI：
InChI=1S/C27H24O13/c28-16-5-2-14(9-19(16)31)11-22(26(35)36)39-23(33)8-3-13-1-6-18(30)21(10-13)40-25(27(37)38)24(34)15-4-7-17(29)20(32)12-15/h1-10,12,22,24-25,28-32,34H,11H2,(H,35,36)(H,37,38)/b8-3+/t22-,24+,25-/m1/s1
InChI key：
RXCWNQHBGCGAOB-MUMKFUQRSA-N
SMILES：
O[C@H]([C@@H](Oc1cc(/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc1O)C(=O)O)c1ccc(O)c(O)c1
Systematic name (3)：
- (E)-3-[3-[(1R,2S)-1-カルボキシ-2-ヒドロキシ-2-(3,4-ジヒドロキシフェニル)エトキシ]-4-ヒドロキシフェニル]プロペン酸1-[(R)-1-カルボキシ-2-(3,4-ジヒドロキシフェニル)エチル]
- (2R,3S)-2-{5-[(1E)-3-[(1R)-1-カルボキシ-2-(3,4-ジヒドロキシフェニル)エトキシ]-3-オキソプロパ-1-エン-1-イル]-2-ヒドロキシフェノキシ}-3-(3,4-ジヒドロキシフェニル)-3-ヒドロキシプロパン酸
- (2R,3S)-2-{5-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
- (E)-3-[3-[(1R,2S)-1-Carboxy-2-hydroxy-2-(3,4-dihydroxyphenyl)ethoxy]-4-hydroxyphenyl]propenoic acid 1-[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester
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