Chem
J-GLOBAL ID：200907047715902989   Nikkaji number：J813.821D

(1S,4α)-1-[[(1R,3R)-1-p-Tolyl-3-phenyl-3-hydroxypropyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

(1S,4α)-1-[[(1R,3R)-1-p-トリル-3-フェニル-3-ヒドロキシプロピル]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： C26H32O2S
Molecular formula furigana： C26-H32-O2-S
Molecular weight： 408.600
InChI： InChI=1S/C26H32O2S/c1-18-9-11-20(12-10-18)23(16-22(27)19-7-5-4-6-8-19)29-17-26-14-13-21(15-24(26)28)25(26,2)3/h4-12,21-23,27H,13-17H2,1-3H3/t21-,22-,23-,26-/m1/s1
InChI key： ICPOSIIPDGTTBX-ICLZECGLSA-N
SMILES： Cc1ccc(cc1)[C@@H](C[C@@H](O)c1ccccc1)SC[C@]12CC[C@H](CC1=O)C2(C)C
Systematic name  (4)：
  • (1S,4α)-1-[[(1R,3R)-1-p-トリル-3-フェニル-3-ヒドロキシプロピル]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
  • (4α)-1β-[[(1R,3R)-1-(4-メチルフェニル)-3-フェニル-3-ヒドロキシプロピル]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-({[(1R,3R)-3-ヒドロキシ-1-(4-メチルフェニル)-3-フェニルプロピル]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,3R)-3-hydroxy-1-(4-methylphenyl)-3-phenylpropyl]sulfanyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Other name (2)：
  • (1S,4α)-1-[[(1R,3R)-1-p-Tolyl-3-phenyl-3-hydroxypropyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
  • (4α)-1β-[[(1R,3R)-1-(4-Methylphenyl)-3-phenyl-3-hydroxypropyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-2-one
Thsaurus map：
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