Chem
J-GLOBAL ID：200907096647303410   Nikkaji number：J813.819B

(4α)-1β-[[(1R,3S)-1-Phenyl-3-hydroxybutyl]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： C20H28O2S
Molecular formula furigana： C20-H28-O2-S
Molecular weight： 332.500
InChI： InChI=1S/C20H28O2S/c1-14(21)11-17(15-7-5-4-6-8-15)23-13-20-10-9-16(12-18(20)22)19(20,2)3/h4-8,14,16-17,21H,9-13H2,1-3H3/t14-,16+,17+,20+/m0/s1
InChI key： GBJSOZCOZVPNHY-CNVJLJKISA-N
SMILES： C[C@H](O)C[C@@H](SC[C@]12CC[C@H](CC1=O)C2(C)C)c1ccccc1
Systematic name  (6)：
  • (1S,4α)-1-[[(1R,3S)-1-フェニル-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-[[(1R,3S)-3-ヒドロキシ-1-フェニルブチル]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-[[(1R,3S)-1-フェニル-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
  • (1β,4S)-4-[[(1R,3S)-1-フェニル-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-3-オン
  • (1S,4R)-1-({[(1R,3S)-3-ヒドロキシ-1-フェニルブチル]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
Show all
Other name (4)：
  • (1S,4α)-1-[[(1R,3S)-1-Phenyl-3-hydroxybutyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
  • (1S,4R)-1-[[(1R,3S)-3-Hydroxy-1-phenylbutyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-2-one
  • (4α)-1β-[[(1R,3S)-1-Phenyl-3-hydroxybutyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-2-one
  • (1β,4S)-4-[[(1R,3S)-1-Phenyl-3-hydroxybutyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-3-one
Thsaurus map：
Thesaurus Map

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