Knightinol acetate

[(1R,2S,3S,5S)-2-[(R)-acetyloxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate

Also Known As: Knightinol acetate|Acetylknightinol|O-Acetylknightinol|1,3-Cyclohexanedione, 5-phenyl-2-(phenylacetyl)-|[(1R,2S,3S,5S)-2-[(R)-acetyloxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate|8-Azabicyclo(3.2.1)octane-2-methanol, 3-(acetyloxy)-8-methyl-alpha-phenyl-, acetate (ester), (1R-(1alpha,2beta(R*),3beta,5alpha))-|[3-(Acetyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl](phenyl)methyl acetate|(R)-[(1R,2S,3S,5S)-3-(Acetyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl](phenyl)methyl acetate|[(1S,3S,4S,5R)-4-[(R)-acetyloxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate

Molecular Formula	C19H25NO4
Molecular Weight	331.17834 g/mol
LogP	2.6
Topological Polar Surface Area	55.8 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	331.17834
Monoisotopic Mass	331.17834
Heavy Atoms	24
Complexity	474.0

Chemical Identifiers

CAS Number	77053-07-7
SMILES	CC(=O)O[C@H]1C[C@@H]2CC[C@H]([C@@H]1[C@H](C3=CC=CC=C3)OC(=O)C)N2C
InChIKey	HREZYWBVKYGIRM-PJVZLEMVSA-N