Chem
J-GLOBAL ID：200907090555889762   Nikkaji number：J1.318.228K

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

(4α)-1β,7,7-トリメチル-3β-[[(1S,3R)-1-フェニル-3-ヒドロキシブチル]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： C21H30O2S
Molecular formula furigana： C21-H30-O2-S
Molecular weight： 346.530
InChI： InChI=1S/C21H30O2S/c1-14(22)12-18(15-8-6-5-7-9-15)24-13-16-17-10-11-21(4,19(16)23)20(17,2)3/h5-9,14,16-18,22H,10-13H2,1-4H3/t14-,16+,17-,18+,21+/m1/s1
InChI key： DYNQTVVWGNRQNA-DNQDSGMMSA-N
SMILES： C[C@@H](O)C[C@H](SC[C@H]1[C@H]2CC[C@@](C)(C1=O)C2(C)C)c1ccccc1
Systematic name  (3)：
  • (4α)-1β,7,7-トリメチル-3β-[[(1S,3R)-1-フェニル-3-ヒドロキシブチル]チオメチル]ビシクロ[2.2.1]ヘプタン-2-オン
  • (1R,3S,4R)-3-({[(1S,3R)-3-ヒドロキシ-1-フェニルブチル]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,3R)-3-hydroxy-1-phenylbutyl]sulfanyl}methyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Other name (1)：
  • (4α)-1β,7,7-Trimethyl-3β-[[(1S,3R)-1-phenyl-3-hydroxybutyl]thiomethyl]bicyclo[2.2.1]heptane-2-one
Thsaurus map：
Thesaurus Map

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