Croomine

(3S,3'R,9S,9aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one

Also Known As: Croomine|(+)-Croomine|(3S,3'R,9S,9aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one|Spiro(furan-2(5H),9'-(9H)pyrrolo(1,2-a)azepin)-5-one, decahydro-4-methyl-3'-(tetrahydro-4-methyl-5-oxo-2-furanyl)-, (3'S-(3'alpha(2R*,4R*),9'alpha(S*),9'aalpha))-|(2S,3 S,4R)-1 ,2 ,3,3 ,4,5 ,6 ,7 ,8 ,9 abeta-Decahydro-4-methyl-3 -[(2S,4S)-tetrahydro-4-methyl-5-oxofuran-2-yl]spiro[furan-2(5H),9 -[9H]pyrrolo[1,2-a]azepine]-5-one|(2S,3'S,4R,9'aS)-4-methyl-3'-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one|(2S,3'S,4R,9'aS)-4-Methyl-3'-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one|(3S,3'R,9S,9aS)-3'-methyl-3-((2S,4S)-4-methyl-5-oxooxolan-2-yl)spiro(1,2,3,5,6,7,8,9a-octahydropyrrolo(1,2-a)azepine-9,5'-oxolane)-2'-one|(3S,4 R,9S,9aS)-3-[[(2S)-4alpha-Methyl-5-oxotetrahydrofuran]-2alpha-yl]-4 -methyldecahydrospiro[9H-pyrrolo[1,2-a]azepine-9,2 (5 H)-furan]-5 -one|Spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one,decahydro-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(2S,3'S,4R,9'aS)-

Molecular Formula	C18H27NO4
Molecular Weight	321.194 g/mol
LogP	2.2767
Topological Polar Surface Area	55.84 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	321.194
Monoisotopic Mass	321.194
Heavy Atoms	23
Complexity	521.151

Chemical Identifiers

CAS Number	71239-66-2
SMILES	C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@@H]3N2CCCC[C@]34C[C@H](C(=O)O4)C