Chem
J-GLOBAL ID：200907098168687141   Nikkaji number：J813.822B

(1S,4α)-1-[[(S)-1,1-Dimethyl-3-hydroxybutyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

(4α)-1β-[[(3S)-1,1-ジメチル-3-ヒドロキシブチル]チオメチル]-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2-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： C16H28O2S
Molecular formula furigana： C16-H28-O2-S
Molecular weight： 284.460
InChI： InChI=1S/C16H28O2S/c1-11(17)9-14(2,3)19-10-16-7-6-12(8-13(16)18)15(16,4)5/h11-12,17H,6-10H2,1-5H3/t11-,12+,16+/m0/s1
InChI key： IDIOXHBYJRQBOE-HWWQOWPSSA-N
SMILES： C[C@H](O)CC(C)(C)SC[C@]12CC[C@H](CC1=O)C2(C)C
Systematic name  (4)：
  • (1S,4α)-1-[[(S)-1,1-ジメチル-3-ヒドロキシブチル]チオメチル]-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2-オン
  • (4α)-1β-[[(3S)-1,1-ジメチル-3-ヒドロキシブチル]チオメチル]-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2-オン
  • (1S,4R)-1-({[(4S)-4-ヒドロキシ-2-メチルペンタン-2-イル]スルファニル}メチル)-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2-オン
  • (1S,4R)-1-({[(4S)-4-hydroxy-2-methylpentan-2-yl]sulfanyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Other name (2)：
  • (1S,4α)-1-[[(S)-1,1-Dimethyl-3-hydroxybutyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
  • (4α)-1β-[[(3S)-1,1-Dimethyl-3-hydroxybutyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-2-one
Thsaurus map：
Thesaurus Map

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