Chem
J-GLOBAL ID：200907050748774685   Nikkaji number：J1.276.760I

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

(4α)-1β-[[(1S,3R)-1-メチル-3-ヒドロキシ-3-フェニルプロピル]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(11-17(21)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： UXXFIZAURRCTRE-CNVJLJKISA-N
SMILES： C[C@@H](C[C@@H](O)c1ccccc1)SC[C@]12CC[C@H](CC1=O)C2(C)C
Systematic name  (3)：
  • (4α)-1β-[[(1S,3R)-1-メチル-3-ヒドロキシ-3-フェニルプロピル]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-({[(2S,4R)-4-ヒドロキシ-4-フェニルブタン-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-({[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]sulfanyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Other name (1)：
  • (4α)-1β-[[(1S,3R)-1-Methyl-3-hydroxy-3-phenylpropyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-2-one
Thsaurus map：
Thesaurus Map

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