Chem
J-GLOBAL ID:200907004701442453   Nikkaji number:J1.276.753F

(2R)-2α-[1-[[(S)-3-Hydroxybutyl]thio]-1-methylethyl]-5β-methylcyclohexane-1-one

(2R)-2α-[1-[[(S)-3-ヒドロキシブチル]チオ]-1-メチルエチル]-5β-メチルシクロヘキサン-1-オン
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: C14H26O2S
Molecular formula furigana: C14-H26-O2-S
Molecular weight: 258.420
InChI: InChI=1S/C14H26O2S/c1-10-5-6-12(13(16)9-10)14(3,4)17-8-7-11(2)15/h10-12,15H,5-9H2,1-4H3/t10-,11+,12-/m1/s1
InChI key: UGQIOKJXXRNJIF-GRYCIOLGSA-N
SMILES: C[C@H](O)CCSC(C)(C)[C@@H]1CC[C@@H](C)CC1=O
Systematic name  (3):
  • (2R)-2α-[1-[[(S)-3-ヒドロキシブチル]チオ]-1-メチルエチル]-5β-メチルシクロヘキサン-1-オン
  • (2R,5R)-2-(2-{[(3S)-3-ヒドロキシブチル]スルファニル}プロパン-2-イル)-5-メチルシクロヘキサン-1-オン
  • (2R,5R)-2-(2-{[(3S)-3-hydroxybutyl]sulfanyl}propan-2-yl)-5-methylcyclohexan-1-one
Other name (1):
  • (2R)-2α-[1-[[(S)-3-Hydroxybutyl]thio]-1-methylethyl]-5β-methylcyclohexane-1-one
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