Chem
J-GLOBAL ID：201307002087590890   Nikkaji number：J3.172.610G

Mumeic acid A

ムメ酸A
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： C23H22O8
Molecular formula furigana： C23-H22-O8
Molecular weight： 426.421
InChI： InChI=1S/C23H22O8/c24-16-9-6-14(7-10-16)8-11-18(25)17-12-23(30,22(28)29)13-19(26)20(17)31-21(27)15-4-2-1-3-5-15/h1-11,17,19-20,24,26,30H,12-13H2,(H,28,29)/b11-8+/t17-,19+,20-,23+/m0/s1
InChI key： SFFNPGWNMNZCBB-FPVSYLLPSA-N
SMILES： O[C@@H]1C[C@](O)(C[C@H]([C@@H]1OC(=O)c1ccccc1)C(=O)/C=C/c1ccc(O)cc1)C(=O)O
Systematic name  (3)：
  • (1R)-1,5α-ジヒドロキシ-3β-[(E)-3-(4-ヒドロキシフェニル)-1-オキソ-2-プロペニル]-4α-(ベンゾイルオキシ)シクロヘキサン-1β-カルボン酸
  • (1R,3R,4S,5R)-4-(ベンゾイルオキシ)-1,3-ジヒドロキシ-5-[(2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノイル]シクロヘキサン-1-カルボン酸
  • (1R,3R,4S,5R)-4-(benzoyloxy)-1,3-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]cyclohexane-1-carboxylic acid
Other name (3)：
  • (1R)-1,5α-Dihydroxy-3β-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-4α-(benzoyloxy)cyclohexane-1β-carboxylic acid
  • Mumeic acid A
  • ムメ酸A
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