Chem
J-GLOBAL ID:200907006139490523   Nikkaji number:J471.395H

(3S,5R)-3-Hydroxy-5-butylthio-2,2-dimethylhexanoic acid methyl ester

(3S,5R)-3-ヒドロキシ-5-ブチルチオ-2,2-ジメチルヘキサン酸メチル
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: C13H26O3S
Molecular formula furigana: C13-H26-O3-S
Molecular weight: 262.410
InChI: InChI=1S/C13H26O3S/c1-6-7-8-17-10(2)9-11(14)13(3,4)12(15)16-5/h10-11,14H,6-9H2,1-5H3/t10-,11+/m1/s1
InChI key: XMCDNXGYEMMYQM-MNOVXSKESA-N
SMILES: CCCCS[C@H](C)C[C@H](O)C(C)(C)C(=O)OC
Systematic name  (3):
  • (3S,5R)-3-ヒドロキシ-5-ブチルチオ-2,2-ジメチルヘキサン酸メチル
  • メチル (3S,5R)-5-(ブチルスルファニル)-3-ヒドロキシ-2,2-ジメチルヘキサノアート
  • methyl (3S,5R)-5-(butylsulfanyl)-3-hydroxy-2,2-dimethylhexanoate
Other name (1):
  • (3S,5R)-3-Hydroxy-5-butylthio-2,2-dimethylhexanoic acid methyl ester
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