Chem
J-GLOBAL ID：201007009125020028   Nikkaji number：J2.821.084A

(R)-3-(3,4-Dihydroxyphenyl)-2-[3-[2β-(3,4-dihydroxyphenyl)-3β-carboxy-2,3-dihydro-1,4-benzodioxin-6-yl]propenoyloxy]propionic acid

(R)-3-(3,4-ジヒドロキシフェニル)-2-[3-[2β-(3,4-ジヒドロキシフェニル)-3β-カルボキシ-2,3-ジヒドロ-1,4-ベンゾジオキシン-6-イル]プロペノイルオキシ]プロピオン酸
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： C27H22O12
Molecular formula furigana： C27-H22-O12
Molecular weight： 538.461
InChI： InChI=1S/C27H22O12/c28-16-5-1-14(9-18(16)30)11-22(26(33)34)37-23(32)8-3-13-2-7-20-21(10-13)39-25(27(35)36)24(38-20)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-31H,11H2,(H,33,34)(H,35,36)/t22-,24+,25+/m1/s1
InChI key： KPKHMGUZUPELJC-VJTSUQJLSA-N
SMILES： OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc2O[C@H]([C@H](Oc2c1)C(=O)O)c1ccc(O)c(O)c1
Systematic name  (3)：
  • (R)-3-(3,4-ジヒドロキシフェニル)-2-[3-[2β-(3,4-ジヒドロキシフェニル)-3β-カルボキシ-2,3-ジヒドロ-1,4-ベンゾジオキシン-6-イル]プロペノイルオキシ]プロピオン酸
  • (2S,3S)-7-{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}-3-(3,4-ジヒドロキシフェニル)-2,3-ジヒドロ-1,4-ベンゾジオキシン-2-カルボン酸
  • (2S,3S)-7-{3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
Other name (1)：
  • (R)-3-(3,4-Dihydroxyphenyl)-2-[3-[2β-(3,4-dihydroxyphenyl)-3β-carboxy-2,3-dihydro-1,4-benzodioxin-6-yl]propenoyloxy]propionic acid
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