Chem
J-GLOBAL ID：200907029475553100   Nikkaji number：J1.276.756K

(4α)-1β-[[(1R,3S)-1-Phenyl-3-hydroxypentyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-2-one

(4α)-1β-[[(1R,3S)-1-フェニル-3-ヒドロキシペンチル]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： C21H30O2S
Molecular formula furigana： C21-H30-O2-S
Molecular weight： 346.530
InChI： InChI=1S/C21H30O2S/c1-4-17(22)13-18(15-8-6-5-7-9-15)24-14-21-11-10-16(12-19(21)23)20(21,2)3/h5-9,16-18,22H,4,10-14H2,1-3H3/t16-,17+,18-,21-/m1/s1
InChI key： BCMWLMIZRYCNDG-BMQTXXJKSA-N
SMILES： CC[C@H](O)C[C@@H](SC[C@]12CC[C@H](CC1=O)C2(C)C)c1ccccc1
Systematic name  (3)：
  • (4α)-1β-[[(1R,3S)-1-フェニル-3-ヒドロキシペンチル]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-({[(1R,3S)-3-ヒドロキシ-1-フェニルペンチル]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-({[(1R,3S)-3-hydroxy-1-phenylpentyl]sulfanyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Other name (1)：
  • (4α)-1β-[[(1R,3S)-1-Phenyl-3-hydroxypentyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-2-one
Thsaurus map：
Thesaurus Map

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