Chem
J-GLOBAL ID：200907032937983149   Nikkaji number：J813.564I

(1S)-5α-[[3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β,3β,4β-trihydroxycyclohexane-1-acetic 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-酢酸
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： C17H20O8
Molecular formula furigana： C17-H20-O8
Molecular weight： 352.339
InChI： InChI=1S/C17H20O8/c18-11-4-1-10(2-5-11)3-6-15(22)25-13-8-17(24,9-14(20)21)7-12(19)16(13)23/h1-6,12-13,16,18-19,23-24H,7-9H2,(H,20,21)/t12-,13-,16-,17+/m1/s1
InChI key： GJZFYEMLDRKGMP-KFZJALRRSA-N
SMILES： O[C@@H]1C[C@@](O)(CC(=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-酢酸
  • 2-[(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]酢酸
  • 2-[(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexyl]acetic acid
Other name (1)：
  • (1S)-5α-[[3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β,3β,4β-trihydroxycyclohexane-1-acetic acid
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM