Magellaninone

(1S,3S,8S,9R,12S)-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-ene-10,16-dione

Also Known As: Magellaninone|Megellaninone|(+)-Magellaninone|Sts 651|J2.448.959K|(1S,3S,8S,9R,12S)-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-14-ene-10,16-dione|1H-Benzo(3a,4)pentaleno(2,1-c)pyridine-1,6(4H)-dione,4a,5,6a,6b,7,8,9,10,10a,11-decahydro-3,9-dimethyl-, (4aS,6aR,6bS,10aS,11aS)-|(11aS)-3,9-Dimethyl-4,4aalpha,5,6,6abeta,6balpha,7,8,9,10,10aalpha,11-dodecahydro-1H-benzo[3a,4]pentaleno[2,1-c]pyridine-1,6-dione|(11aS)-3,9-Dimethyl-4,4aalpha,6abeta,6balpha,7,8,9,10,10aalpha,11-decahydro-1H-benzo[3a,4]pentaleno[2,1-c]pyridine-1,6(5H)-dione|(1S,3S,8S,9R,12S)-5,14-dimethyl-5-azatetracyclo(7.7.0.01,12.03,8)hexadec-14-ene-10,16-dione|(4aS,11aS)-4,4aalpha,5,6,6abeta,6balpha,7,8,9,10,10aalpha,11-Dodecahydro-3,9-dimethyl-1H-benzo[3a,4]pentaleno[2,1-c]pyridine-1,6-dione|(4aS,6aR,6bS,10aS,11aS)-3,9-Dimethyl-4a,5,6a,6b,7,8,9,10,10a,11-decahydro-1H-benzo[3a,4]pentaleno[2,1-c]pyridine-1,6(4H)-dione

Molecular Formula	C17H23NO2
Molecular Weight	273.17288 g/mol
LogP	0.9
Topological Polar Surface Area	37.4 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	0
Exact Mass	273.17288
Monoisotopic Mass	273.17288
Heavy Atoms	20
Complexity	523.0

Chemical Identifiers

CAS Number	73885-47-9
SMILES	CC1=CC(=O)[C@]23C[C@@H]4CN(CC[C@@H]4[C@H]2C(=O)C[C@@H]3C1)C
InChIKey	ACOOBFFCOFTQCQ-WCGFVAAJSA-N