Chem
J-GLOBAL ID：200907044333512561   Nikkaji number：J1.725.784F

(1β,5β)-2-[(S)-α-(Mesyloxy)benzyl]-7-methylenebicyclo[3.3.1]nonane-3-one

(1β,5β)-2-[(S)-α-(メシルオキシ)ベンジル]-7-メチレンビシクロ[3.3.1]ノナン-3-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： C18H22O4S
Molecular formula furigana： C18-H22-O4-S
Molecular weight： 334.430
InChI： InChI=1S/C18H22O4S/c1-12-8-13-10-15(9-12)17(16(19)11-13)18(22-23(2,20)21)14-6-4-3-5-7-14/h3-7,13,15,17-18H,1,8-11H2,2H3/t13-,15+,17?,18-/m1/s1
InChI key： JJUDWHZFHSASIU-DKWIVPKTSA-N
SMILES： CS(=O)(=O)O[C@@H](C1[C@@H]2C[C@@H](CC(=C)C2)CC1=O)c1ccccc1
Systematic name  (3)：
  • (1β,5β)-2-[(S)-α-(メシルオキシ)ベンジル]-7-メチレンビシクロ[3.3.1]ノナン-3-オン
  • (S)-[(1R,5S)-7-メチリデン-3-オキソビシクロ[3.3.1]ノナン-2-イル](フェニル)メチル メタンスルホナート
  • (S)-[(1R,5S)-7-methylidene-3-oxobicyclo[3.3.1]nonan-2-yl](phenyl)methyl methanesulfonate
Other name (1)：
  • (1β,5β)-2-[(S)-α-(Mesyloxy)benzyl]-7-methylenebicyclo[3.3.1]nonane-3-one
Thsaurus map：
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