Chem
J-GLOBAL ID：200907079206442552   Nikkaji number：J1.318.229I

(4α)-1β,7,7-Trimethyl-3β-[[(1S,3R)-1-phenyl-3-hydroxyundecyl]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-ヒドロキシウンデシル]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： C28H44O2S
Molecular formula furigana： C28-H44-O2-S
Molecular weight： 444.720
InChI： InChI=1S/C28H44O2S/c1-5-6-7-8-9-13-16-22(29)19-25(21-14-11-10-12-15-21)31-20-23-24-17-18-28(4,26(23)30)27(24,2)3/h10-12,14-15,22-25,29H,5-9,13,16-20H2,1-4H3/t22-,23+,24-,25+,28+/m1/s1
InChI key： WAKNBMBBHJOSBE-RJKIJDSESA-N
SMILES： CCCCCCCC[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-ヒドロキシウンデシル]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-フェニルウンデシル]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-phenylundecyl]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-hydroxyundecyl]thiomethyl]bicyclo[2.2.1]heptane-2-one
Thsaurus map：
Thesaurus Map

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