Chem
J-GLOBAL ID：200907015850569492   Nikkaji number：J813.566E

(1S)-5α-[(Phenoxyacetyl)oxy]-1β-[3-(4-chlorophenyl)propoxy]-3β,4β-dihydroxycyclohexanecarboxylic acid

(1S)-5α-[(フェノキシアセチル)オキシ]-1β-[3-(4-クロロフェニル)プロポキシ]-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： C24H27ClO8
Molecular formula furigana： C24-H27-CL-O8
Molecular weight： 478.920
InChI： InChI=1S/C24H27ClO8/c25-17-10-8-16(9-11-17)5-4-12-32-24(23(29)30)13-19(26)22(28)20(14-24)33-21(27)15-31-18-6-2-1-3-7-18/h1-3,6-11,19-20,22,26,28H,4-5,12-15H2,(H,29,30)/t19-,20-,22-,24+/m1/s1
InChI key： KFANVJDMLPWFJC-RKONGDRVSA-N
SMILES： O[C@@H]1C[C@@](C[C@@H](OC(=O)COc2ccccc2)[C@@H]1O)(OCCCc1ccc(Cl)cc1)C(=O)O
Systematic name  (3)：
  • (1S)-5α-[(フェノキシアセチル)オキシ]-1β-[3-(4-クロロフェニル)プロポキシ]-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-[3-(4-クロロフェニル)プロポキシ]-3,4-ジヒドロキシ-5-[(2-フェノキシアセチル)オキシ]シクロヘキサン-1-カルボン酸
  • (1S,3R,4R,5R)-1-[3-(4-chlorophenyl)propoxy]-3,4-dihydroxy-5-[(2-phenoxyacetyl)oxy]cyclohexane-1-carboxylic acid
Other name (1)：
  • (1S)-5α-[(Phenoxyacetyl)oxy]-1β-[3-(4-chlorophenyl)propoxy]-3β,4β-dihydroxycyclohexanecarboxylic acid
Thsaurus map：
Thesaurus Map

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