Chem
J-GLOBAL ID：200907048660229984
Nikkaji number：J1.725.787K
(1β,5β)-2α-[(S)-α-Methylbenzyl]-7-methylenebicyclo[3.3.1]nonane-3-one
(1β,5β)-2α-[(S)-α-メチルベンジル]-7-メチレンビシクロ[3.3.1]ノナン-3-オン
Substance type
Substance type 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
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
Molecular formula： C18H22O
Molecular formula furigana： C18-H22-O
Molecular weight： 254.373
InChI：
InChI=1S/C18H22O/c1-12-8-14-10-16(9-12)18(17(19)11-14)13(2)15-6-4-3-5-7-15/h3-7,13-14,16,18H,1,8-11H2,2H3/t13-,14-,16+,18+/m1/s1
InChI key：
ZRLNCUUIXURJFM-DEICHXMPSA-N
SMILES：
C[C@@H]([C@H]1[C@@H]2C[C@@H](CC(=C)C2)CC1=O)c1ccccc1
Systematic name (3)：
- (1β,5β)-2α-[(S)-α-メチルベンジル]-7-メチレンビシクロ[3.3.1]ノナン-3-オン
- (1R,2R,5S)-7-メチリデン-2-[(1S)-1-フェニルエチル]ビシクロ[3.3.1]ノナン-3-オン
- (1R,2R,5S)-7-methylidene-2-[(1S)-1-phenylethyl]bicyclo[3.3.1]nonan-3-one
- (1β,5β)-2α-[(S)-α-Methylbenzyl]-7-methylenebicyclo[3.3.1]nonane-3-one
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