Chem
J-GLOBAL ID：200907037155068249   Nikkaji number：J462.744J

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

(1S)-1,5α-ジヒドロキシ-3β,4α-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/c1-36-20-9-5-17(13-22(20)38-3)7-11-25(31)40-24-16-29(35,28(33)34)15-19(30)27(24)41-26(32)12-8-18-6-10-21(37-2)23(14-18)39-4/h5-14,19,24,27,30,35H,15-16H2,1-4H3,(H,33,34)/b11-7+,12-8+/t19-,24-,27-,29+/m1/s1
InChI key： YADRDOBMSUMYFW-PKHJVCBOSA-N
SMILES： COc1ccc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2OC(=O)/C=C/c2ccc(OC)c(OC)c2)C(=O)O)cc1OC
Systematic name  (3)：
  • (1S)-1,5α-ジヒドロキシ-3β,4α-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
  • (1S,3R,4R,5R)-3,4-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})-1,5-ジヒドロキシシクロヘキサン-1-カルボン酸
  • (1S,3R,4R,5R)-3,4-bis({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid
Other name (1)：
  • (1S)-1,5α-Dihydroxy-3β,4α-bis(3,4-dimethoxycinnamoyloxy)-1β-cyclohexanecarboxylic acid
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