Chem
J-GLOBAL ID:200907057933211659   Nikkaji number:J1.419.662E

1,3β-Dihydroxy-4β,5α-bis[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexane-1α-carboxylic acid

1,3β-ジヒドロキシ-4β,5α-ビス[[3-(4-ヒドロキシ-3-メトキシフェニル)-1-オキソ-2-プロペニル]オキシ]シクロヘキサン-1α-カルボン酸
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: C27H28O12
Molecular formula furigana: C27-H28-O12
Molecular weight: 544.509
InChI: InChI=1S/C27H28O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(31)38-22-14-27(35,26(33)34)13-19(30)25(22)39-24(32)10-6-16-4-8-18(29)21(12-16)37-2/h3-12,19,22,25,28-30,35H,13-14H2,1-2H3,(H,33,34)/t19-,22-,25-,27+/m1/s1
InChI key: WCIDSNIXNCYSPH-FQSWERQXSA-N
SMILES: COc1cc(C=CC(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2OC(=O)C=Cc2ccc(O)c(OC)c2)C(=O)O)ccc1O
Systematic name  (3):
  • 1,3β-ジヒドロキシ-4β,5α-ビス[[3-(4-ヒドロキシ-3-メトキシフェニル)-1-オキソ-2-プロペニル]オキシ]シクロヘキサン-1α-カルボン酸
  • (1S,3R,4R,5R)-1,3-ジヒドロキシ-4,5-ビス({[3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノイル]オキシ})シクロヘキサン-1-カルボン酸
  • (1S,3R,4R,5R)-1,3-dihydroxy-4,5-bis({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid
Other name (1):
  • 1,3β-Dihydroxy-4β,5α-bis[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexane-1α-carboxylic acid
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