Chem
J-GLOBAL ID：200907018409771706   Nikkaji number：J813.565G

(1S)-5α-[[3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β-ethoxy-3β,4β-dihydroxycyclohexanecarboxylic 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-エトキシ-3β,4β-ジヒドロキシシクロヘキサンカルボン酸
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： C18H22O8
Molecular formula furigana： C18-H22-O8
Molecular weight： 366.366
InChI： InChI=1S/C18H22O8/c1-2-25-18(17(23)24)9-13(20)16(22)14(10-18)26-15(21)8-5-11-3-6-12(19)7-4-11/h3-8,13-14,16,19-20,22H,2,9-10H2,1H3,(H,23,24)/t13-,14-,16-,18+/m1/s1
InChI key： IKYVAFBPSRRAGP-SZXPJGKVSA-N
SMILES： CCO[C@]1(C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)C=Cc1ccc(O)cc1)C(=O)O
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-エトキシ-3β,4β-ジヒドロキシシクロヘキサンカルボン酸
  • (1S,3R,4R,5R)-1-エトキシ-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
  • (1S,3R,4R,5R)-1-ethoxy-3,4-dihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
Other name (1)：
  • (1S)-5α-[[3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β-ethoxy-3β,4β-dihydroxycyclohexanecarboxylic acid
Thsaurus map：
Thesaurus Map

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