Chem
J-GLOBAL ID：201307062746512846   Nikkaji number：J3.172.601H

(1R)-1,4α,5α-Trihydroxy-3β-[(E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]cyclohexane-1β-carboxylic acid

(1R)-1,4α,5α-トリヒドロキシ-3β-[(E)-3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]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： C16H18O8
Molecular formula furigana： C16-H18-O8
Molecular weight： 338.312
InChI： InChI=1S/C16H18O8/c17-10(3-1-8-2-4-11(18)12(19)5-8)9-6-16(24,15(22)23)7-13(20)14(9)21/h1-5,9,13-14,18-21,24H,6-7H2,(H,22,23)/b3-1+/t9-,13+,14-,16+/m0/s1
InChI key： OMSJKQVEQUHJLH-LLBNBFMRSA-N
SMILES： O[C@@H]1C[C@](O)(C[C@H]([C@@H]1O)C(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O
Systematic name  (3)：
  • (1R)-1,4α,5α-トリヒドロキシ-3β-[(E)-3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]シクロヘキサン-1β-カルボン酸
  • (1R,3R,4S,5R)-3-[(2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]-1,4,5-トリヒドロキシシクロヘキサン-1-カルボン酸
  • (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Other name (1)：
  • (1R)-1,4α,5α-Trihydroxy-3β-[(E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]cyclohexane-1β-carboxylic acid
Thsaurus map：
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