Chem
J-GLOBAL ID：200907001013282540   Nikkaji number：J1.767.906F

(3S,4R,5S)-2,2,4-Trimethyl-3-hydroxy-5-methoxy-5-phenylpentanoic acid ethyl ester

(3S,4R,5S)-2,2,4-トリメチル-3-ヒドロキシ-5-メトキシ-5-フェニルペンタン酸エチル
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： C17H26O4
Molecular formula furigana： C17-H26-O4
Molecular weight： 294.391
InChI： InChI=1S/C17H26O4/c1-6-21-16(19)17(3,4)15(18)12(2)14(20-5)13-10-8-7-9-11-13/h7-12,14-15,18H,6H2,1-5H3/t12-,14-,15-/m0/s1
InChI key： WYQKAPQTHNIYRO-QEJZJMRPSA-N
SMILES： CCOC(=O)C(C)(C)[C@@H](O)[C@@H](C)[C@H](OC)c1ccccc1
Systematic name  (3)：
  • (3S,4R,5S)-2,2,4-トリメチル-3-ヒドロキシ-5-メトキシ-5-フェニルペンタン酸エチル
  • エチル (3S,4R,5S)-3-ヒドロキシ-5-メトキシ-2,2,4-トリメチル-5-フェニルペンタノアート
  • ethyl (3S,4R,5S)-3-hydroxy-5-methoxy-2,2,4-trimethyl-5-phenylpentanoate
Other name (1)：
  • (3S,4R,5S)-2,2,4-Trimethyl-3-hydroxy-5-methoxy-5-phenylpentanoic acid ethyl ester
Thsaurus map：
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