Chem
J-GLOBAL ID：200907049363913660   Nikkaji number：J2.237.021I

1,3β,4α-Trihydroxy-5β-(3-phenoxypropyl)cyclohexane-1β-carboxylic acid

1,3β,4α-トリヒドロキシ-5β-(3-フェノキシプロピル)シクロヘキサン-1β-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： C16H22O6
Molecular formula furigana： C16-H22-O6
Molecular weight： 310.346
InChI： InChI=1S/C16H22O6/c17-13-10-16(21,15(19)20)9-11(14(13)18)5-4-8-22-12-6-2-1-3-7-12/h1-3,6-7,11,13-14,17-18,21H,4-5,8-10H2,(H,19,20)/t11-,13+,14+,16-/m0/s1
InChI key： SCUFESRLGCQXRX-DCDXPUDHSA-N
SMILES： O[C@@H]1C[C@@](O)(C[C@H](CCCOc2ccccc2)[C@H]1O)C(=O)O
Systematic name  (3)：
  • 1,3β,4α-トリヒドロキシ-5β-(3-フェノキシプロピル)シクロヘキサン-1β-カルボン酸
  • (1S,3R,4R,5S)-1,3,4-トリヒドロキシ-5-(3-フェノキシプロピル)シクロヘキサン-1-カルボン酸
  • (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexane-1-carboxylic acid
Other name (1)：
  • 1,3β,4α-Trihydroxy-5β-(3-phenoxypropyl)cyclohexane-1β-carboxylic acid
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