Chem
J-GLOBAL ID：200907098701116160
Nikkaji number：J1.874.301I
(1β,2β,6β,7β)-4-Oxatricyclo[5.2.1.02,6]decane-3-one
(1β,2β,6β,7β)-4-オキサトリシクロ[5.2.1.02,6]デカン-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： C9H12O2
Molecular formula furigana： C9-H12-O2
Molecular weight： 152.193
InChI：
InChI=1S/C9H12O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-8H,1-4H2/t5-,6+,7-,8+/m1/s1
InChI key：
DGTBPTXOXUGLAH-CWKFCGSDSA-N
SMILES：
O=C1OC[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]12
Systematic name (3)：
- (1β,2β,6β,7β)-4-オキサトリシクロ[5.2.1.02,6]デカン-3-オン
- (1S,2S,6R,7R)-4-オキサトリシクロ[5.2.1.02,6]デカン-3-オン
- (1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-one
- (1β,2β,6β,7β)-4-Oxatricyclo[5.2.1.02,6]decane-3-one
- (1S,2S,6R,7R)-4-Oxatricyclo[5.2.1.02,6]decane-3-one
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