Chem
J-GLOBAL ID：200907036755770919   Nikkaji number：J1.318.226D

(4α)-1β,7,7-Trimethyl-3β-[[(1S,3S)-1-(4-methylphenyl)-3-phenyl-3-hydroxypropyl]thiomethyl]bicyclo[2.2.1]heptane-2-one

(4α)-1β,7,7-トリメチル-3β-[[(1S,3S)-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]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： C27H34O2S
Molecular formula furigana： C27-H34-O2-S
Molecular weight： 422.630
InChI： InChI=1S/C27H34O2S/c1-18-10-12-20(13-11-18)24(16-23(28)19-8-6-5-7-9-19)30-17-21-22-14-15-27(4,25(21)29)26(22,2)3/h5-13,21-24,28H,14-17H2,1-4H3/t21-,22+,23-,24-,27-/m0/s1
InChI key： BTZVZJOIWOSACF-AJKRBGFZSA-N
SMILES： Cc1ccc(cc1)[C@H](C[C@H](O)c1ccccc1)SC[C@H]1[C@H]2CC[C@@](C)(C1=O)C2(C)C
Systematic name  (3)：
  • (4α)-1β,7,7-トリメチル-3β-[[(1S,3S)-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]ビシクロ[2.2.1]ヘプタン-2-オン
  • (1R,3S,4R)-3-({[(1S,3S)-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)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-オン
  • (1R,3S,4R)-3-({[(1S,3S)-3-hydroxy-1-(4-methylphenyl)-3-phenylpropyl]sulfanyl}methyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Other name (1)：
  • (4α)-1β,7,7-Trimethyl-3β-[[(1S,3S)-1-(4-methylphenyl)-3-phenyl-3-hydroxypropyl]thiomethyl]bicyclo[2.2.1]heptane-2-one
Thsaurus map：
Thesaurus Map

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