Apodine

methyl (1R,12R,16S,22R)-14-oxo-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-10-carboxylate

Also Known As: Apodine|methyl (1R,12R,16S,22R)-14-oxo-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-10-carboxylate|8-(hydroxymethyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-g)chromen-6-one|(5alpha,12R,19alpha)-2,3-Didehydro-6alpha-hydroxy-3-(methoxycarbonyl)aspidospermidin-21-oic acid gamma-lactone|Acetic acid (4aS,9R,10aS)-6-acetoxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-1,2,3,4,4a,5,8,9,10,10a-decahydro-phenanthren-9-yl ester|Aspidospermidin-21-oic acid, 2,3-didehydro-6-hydroxy-3-(methoxycarbonyl)-, gamma-lactone, (5alpha,6alpha,12beta,19alpha)-|methyl (1R,12R,16S,22R)-14-oxo-15-oxa-8,19-diazahexacyclo(10.9.1.01,9.02,7.012,16.019,22)docosa-2,4,6,9-tetraene-10-carboxylate|Methyl 21-oxo-5alpha,6alpha,12beta,19alpha-2,3-didehydro-6,21-epoxyaspidospermidine-3-carboxylate

Molecular Formula	C21H22N2O4
Molecular Weight	366.15796 g/mol
LogP	1.9
Topological Polar Surface Area	67.9 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	366.15796
Monoisotopic Mass	366.15796
Heavy Atoms	27
Complexity	763.0

Chemical Identifiers

CAS Number	57932-86-2
SMILES	COC(=O)C1=C2[C@]3(CCN4[C@H]3[C@@]5(C1)CC(=O)O[C@H]5CC4)C6=CC=CC=C6N2
InChIKey	SXLKMYFJLWDXFU-ZEWNOJEFSA-N