Chem
J-GLOBAL ID：200907028145402290   Nikkaji number：J1.318.222A

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

(4α)-1β,7,7-トリメチル-3β-[[(R)-1,1-ジメチル-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： C17H30O2S
Molecular formula furigana： C17-H30-O2-S
Molecular weight： 298.490
InChI： InChI=1S/C17H30O2S/c1-11(18)9-15(2,3)20-10-12-13-7-8-17(6,14(12)19)16(13,4)5/h11-13,18H,7-10H2,1-6H3/t11-,12+,13-,17+/m1/s1
InChI key： UPYJYIPJVLGWPK-ZHRONYKTSA-N
SMILES： C[C@@H](O)CC(C)(C)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-[[(R)-1,1-ジメチル-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-({[(4R)-4-ヒドロキシ-2-メチルペンタン-2-イル]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-({[(4R)-4-hydroxy-2-methylpentan-2-yl]sulfanyl}methyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Other name (1)：
  • (4α)-1β,7,7-Trimethyl-3β-[[(R)-1,1-dimethyl-3-hydroxybutyl]thiomethyl]bicyclo[2.2.1]heptane-2-one
Thsaurus map：
Thesaurus Map

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