Chem
J-GLOBAL ID：200907094850504215   Nikkaji number：J1.276.759E

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

(4α)-1β-[[(1R,3S)-1-フェニル-3-ヒドロキシドデシル]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： C28H44O2S
Molecular formula furigana： C28-H44-O2-S
Molecular weight： 444.720
InChI： InChI=1S/C28H44O2S/c1-4-5-6-7-8-9-13-16-24(29)20-25(22-14-11-10-12-15-22)31-21-28-18-17-23(19-26(28)30)27(28,2)3/h10-12,14-15,23-25,29H,4-9,13,16-21H2,1-3H3/t23-,24+,25-,28-/m1/s1
InChI key： FWBMSTAGJCSXRD-KALPRAJFSA-N
SMILES： CCCCCCCCC[C@H](O)C[C@@H](SC[C@]12CC[C@H](CC1=O)C2(C)C)c1ccccc1
Systematic name  (3)：
  • (4α)-1β-[[(1R,3S)-1-フェニル-3-ヒドロキシドデシル]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
  • (1S,4R)-1-({[(1R,3S)-3-ヒドロキシ-1-フェニルドデシル]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
  • (1S,4R)-1-({[(1R,3S)-3-hydroxy-1-phenyldodecyl]sulfanyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Other name (1)：
  • (4α)-1β-[[(1R,3S)-1-Phenyl-3-hydroxydodecyl]thiomethyl]-7,7-dimethylbicyclo[2.2.1]heptane-2-one
Thsaurus map：
Thesaurus Map

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