Chem
J-GLOBAL ID：201307011223382031   Nikkaji number：J3.172.598D

(1R)-1,5α-Dihydroxy-3β-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-4α-(benzoyloxy)cyclohexane-1β-carboxylic acid methyl ester

(1S,2R,4R,6R)-2,4-ジヒドロキシ-6-[(2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノイル]-4-(メトキシカルボニル)シクロヘキシル ベンゾアート
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： C24H24O8
Molecular formula furigana： C24-H24-O8
Molecular weight： 440.448
InChI： InChI=1S/C24H24O8/c1-31-23(29)24(30)13-18(19(26)12-9-15-7-10-17(25)11-8-15)21(20(27)14-24)32-22(28)16-5-3-2-4-6-16/h2-12,18,20-21,25,27,30H,13-14H2,1H3/b12-9+/t18-,20+,21-,24+/m0/s1
InChI key： OOOXCNXLVMFVSR-JSZFQZDBSA-N
SMILES： COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)c2ccccc2)[C@@H](C1)C(=O)/C=C/c1ccc(O)cc1
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-カルボン酸メチル
  • (1S,2R,4R,6R)-2,4-ジヒドロキシ-6-[(2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノイル]-4-(メトキシカルボニル)シクロヘキシル ベンゾアート
  • (1S,2R,4R,6R)-2,4-dihydroxy-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-(methoxycarbonyl)cyclohexyl benzoate
Other name (1)：
  • (1R)-1,5α-Dihydroxy-3β-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-4α-(benzoyloxy)cyclohexane-1β-carboxylic acid methyl ester
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