Chem
J-GLOBAL ID:200907038681442941   Nikkaji number:J1.453.978F

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

1,3β,4α-トリヒドロキシ-5α-(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: C16H18O9
Molecular formula furigana: C16-H18-O9
Molecular weight: 354.311
InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1
InChI key: CWVRJTMFETXNAD-NXLLHMKUSA-N
SMILES: O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O)C(=O)O
Systematic name  (8):
  • 1,3β,4α-トリヒドロキシ-5α-(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
  • (E)-3-(3,4-ジヒドロキシフェニル)アクリル酸[(1R)-2β,3α,5-トリヒドロキシ-5α-カルボキシシクロヘキサン]-1β-イル
  • (1R)-1,3β,4α-トリヒドロキシ-5α-(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
  • 1,4β,5α-トリヒドロキシ-3β-[[(E)-3,4-ジヒドロキシシンナモイル]オキシ]シクロヘキサン-1α-カルボン酸
  • 1,4β,5α-トリヒドロキシ-3β-[(3,4-ジヒドロキシ-trans-シンナモイル)オキシ]シクロヘキサン-1α-カルボン酸
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Other name (6):
  • 1,3β,4α-Trihydroxy-5α-(3,4-dihydroxycinnamoyloxy)cyclohexane-1β-carboxylic acid
  • (E)-3-(3,4-Dihydroxyphenyl)acrylic acid [(1R)-2β,3α,5-trihydroxy-5α-carboxycyclohexane]-1β-yl ester
  • (1R)-1,3β,4α-Trihydroxy-5α-(3,4-dihydroxycinnamoyloxy)cyclohexane-1β-carboxylic acid
  • 1,4β,5α-Trihydroxy-3β-[[(E)-3,4-dihydroxycinnamoyl]oxy]cyclohexane-1α-carboxylic acid
  • 1,4β,5α-Trihydroxy-3β-[(3,4-dihydroxy-trans-cinnamoyl)oxy]cyclohexane-1α-carboxylic acid
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