Chem
J-GLOBAL ID：200907053049397840   Nikkaji number：J462.743A

1,4α-Dihydroxy-3β,5α-bis(3,4-dimethoxycinnamoyloxy)-1β-cyclohexanecarboxylic acid

1,4α-ジヒドロキシ-3β,5α-ビス(3,4-ジメトキシシンナモイルオキシ)-1β-シクロヘキサンカルボン酸
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： C29H32O12
Molecular formula furigana： C29-H32-O12
Molecular weight： 572.563
InChI： InChI=1S/C29H32O12/c1-36-19-9-5-17(13-21(19)38-3)7-11-25(30)40-23-15-29(35,28(33)34)16-24(27(23)32)41-26(31)12-8-18-6-10-20(37-2)22(14-18)39-4/h5-14,23-24,27,32,35H,15-16H2,1-4H3,(H,33,34)/b11-7+,12-8+/t23-,24-,27?,29-/m1/s1
InChI key： SYJRHYLQSHDQTF-IYFCAHIHSA-N
SMILES： COc1ccc(/C=C/C(=O)O[C@@H]2C[C@](O)(C[C@@H](OC(=O)/C=C/c3ccc(OC)c(OC)c3)C2O)C(=O)O)cc1OC
Systematic name  (3)：
  • 1,4α-ジヒドロキシ-3β,5α-ビス(3,4-ジメトキシシンナモイルオキシ)-1β-シクロヘキサンカルボン酸
  • (3R,5R)-3,5-ビス({[(2E)-3-(3,4-ジメトキシフェニル)プロパ-2-エノイル]オキシ})-1,4-ジヒドロキシシクロヘキサン-1-カルボン酸
  • (3R,5R)-3,5-bis({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid
Other name (1)：
  • 1,4α-Dihydroxy-3β,5α-bis(3,4-dimethoxycinnamoyloxy)-1β-cyclohexanecarboxylic acid
Thsaurus map：
Thesaurus Map

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