Chem
J-GLOBAL ID：200907054940877019   Nikkaji number：J813.818D

(4α)-1β-[[(1R,3R)-1,3-Diphenyl-3-hydroxypropyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-2-one

(4α)-1β-[[(1R,3R)-1,3-ジフェニル-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： C25H30O2S
Molecular formula furigana： C25-H30-O2-S
Molecular weight： 394.570
InChI： InChI=1S/C25H30O2S/c1-24(2)20-13-14-25(24,23(27)15-20)17-28-22(19-11-7-4-8-12-19)16-21(26)18-9-5-3-6-10-18/h3-12,20-22,26H,13-17H2,1-2H3/t20-,21-,22-,25-/m1/s1
InChI key： WTLCDKNJVCLHTQ-NMOFPLQQSA-N
SMILES： CC1(C)[C@@H]2CC[C@@]1(CS[C@H](C[C@@H](O)c1ccccc1)c1ccccc1)C(=O)C2
Systematic name  (5)：
  • (1S,4α)-1-[[(1R,3R)-1,3-ジフェニル-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)-1,3-ジフェニル-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
  • (1β,4S)-4-[[(1R,3R)-3-ヒドロキシ-1,3-ジフェニルプロピル]チオメチル]-7,7-ジメチルビシクロ[2.2.1]ヘプタン-3-オン
  • (1S,4R)-1-({[(1R,3R)-3-ヒドロキシ-1,3-ジフェニルプロピル]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-1,3-diphenylpropyl]sulfanyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Other name (3)：
  • (1S,4α)-1-[[(1R,3R)-1,3-Diphenyl-3-hydroxypropyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
  • (4α)-1β-[[(1R,3R)-1,3-Diphenyl-3-hydroxypropyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-2-one
  • (1β,4S)-4-[[(1R,3R)-3-Hydroxy-1,3-diphenylpropyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-3-one
Thsaurus map：
Thesaurus Map

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