Chem
J-GLOBAL ID：200907059365516485   Nikkaji number：J1.276.774I

(4β)-1α-[[(1S,3R)-1-Phenyl-3-hydroxyundecyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-2-one

(4β)-1α-[[(1S,3R)-1-フェニル-3-ヒドロキシウンデシル]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： C27H42O2S
Molecular formula furigana： C27-H42-O2-S
Molecular weight： 430.690
InChI： InChI=1S/C27H42O2S/c1-4-5-6-7-8-12-15-23(28)19-24(21-13-10-9-11-14-21)30-20-27-17-16-22(18-25(27)29)26(27,2)3/h9-11,13-14,22-24,28H,4-8,12,15-20H2,1-3H3/t22-,23+,24-,27-/m0/s1
InChI key： DUVYPGOTGIAHQP-LAOBSVPGSA-N
SMILES： CCCCCCCC[C@@H](O)C[C@H](SC[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccccc1
Systematic name  (3)：
  • (4β)-1α-[[(1S,3R)-1-フェニル-3-ヒドロキシウンデシル]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
  • (1R,4S)-1-({[(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)-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2-オン
  • (1R,4S)-1-({[(1S,3R)-3-hydroxy-1-phenylundecyl]sulfanyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Other name (1)：
  • (4β)-1α-[[(1S,3R)-1-Phenyl-3-hydroxyundecyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-2-one
Thsaurus map：
Thesaurus Map

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