Chem
J-GLOBAL ID：200907042019802510   Nikkaji number：J1.453.981F

1,4α-Dihydroxy-3β,5α-bis(3,4-dihydroxycinnamoyloxy)cyclohexane-1β-carboxylic acid

1,4α-ジヒドロキシ-3β,5α-ビス(3,4-ジヒドロキシシンナモイルオキシ)シクロヘキサン-1β-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： C25H24O12
Molecular formula furigana： C25-H24-O12
Molecular weight： 516.455
InChI： InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25?/m1/s1
InChI key： KRZBCHWVBQOTNZ-XAIBDRPMSA-N
SMILES： O[C@H]1[C@@H](CC(O)(C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O)OC(=O)/C=C/c1ccc(O)c(O)c1
Systematic name  (1)：
  • 1,4α-ジヒドロキシ-3β,5α-ビス(3,4-ジヒドロキシシンナモイルオキシ)シクロヘキサン-1β-カルボン酸
Other name (1)：
  • 1,4α-Dihydroxy-3β,5α-bis(3,4-dihydroxycinnamoyloxy)cyclohexane-1β-carboxylic acid
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