Chem
J-GLOBAL ID：200907036334850492   Nikkaji number：J813.561D

(1R)-5α-[[3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]oxy]-3β,4β-dihydroxycyclohexane-1α-carboxylic acid

(1R)-5α-[[3-(4-ヒドロキシフェニル)-1-オキソ-2-プロペニル]オキシ]-3β,4β-ジヒドロキシシクロヘキサン-1α-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： C16H18O7
Molecular formula furigana： C16-H18-O7
Molecular weight： 322.313
InChI： InChI=1S/C16H18O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-6,10,12-13,15,17-18,20H,7-8H2,(H,21,22)/t10-,12-,13-,15-/m1/s1
InChI key： BZATVPJHIBQLGI-BPGGGUHBSA-N
SMILES： O[C@@H]1C[C@H](C[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O)C(=O)O
Systematic name  (3)：
  • (1R)-5α-[[3-(4-ヒドロキシフェニル)-1-オキソ-2-プロペニル]オキシ]-3β,4β-ジヒドロキシシクロヘキサン-1α-カルボン酸
  • (1R,3R,4R,5R)-3,4-ジヒドロキシ-5-{[3-(4-ヒドロキシフェニル)プロパ-2-エノイル]オキシ}シクロヘキサン-1-カルボン酸
  • (1R,3R,4R,5R)-3,4-dihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
Other name (1)：
  • (1R)-5α-[[3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]oxy]-3β,4β-dihydroxycyclohexane-1α-carboxylic acid
Thsaurus map：
Thesaurus Map

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