Chem
J-GLOBAL ID：200907058918603040   Nikkaji number：J813.563K

(1S)-5α-[[3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β,3β,4β-trihydroxycyclohexane-1-propionic acid

(1S)-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]-1β,3β,4β-トリヒドロキシシクロヘキサン-1-プロピオン酸
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： C18H22O8
Molecular formula furigana： C18-H22-O8
Molecular weight： 366.366
InChI： InChI=1S/C18H22O8/c19-12-4-1-11(2-5-12)3-6-16(23)26-14-10-18(25,8-7-15(21)22)9-13(20)17(14)24/h1-6,13-14,17,19-20,24-25H,7-10H2,(H,21,22)/t13-,14-,17-,18+/m1/s1
InChI key： JDJZUDPJSCGCDK-DTDBQYNISA-N
SMILES： O[C@@H]1C[C@@](O)(CCC(=O)O)C[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O
Systematic name  (3)：
  • (1S)-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]-1β,3β,4β-トリヒドロキシシクロヘキサン-1-プロピオン酸
  • 3-[(1S,3R,4R,5R)-1,3,4-トリヒドロキシ-5-{[3-(4-ヒドロキシフェニル)プロパ-2-エノイル]オキシ}シクロヘキシル]プロパン酸
  • 3-[(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexyl]propanoic acid
Other name (1)：
  • (1S)-5α-[[3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β,3β,4β-trihydroxycyclohexane-1-propionic acid
Thsaurus map：
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