Vinervine

methyl (1R,11S,12E,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate

Also Known As: Vinervine|(-)-Vinervine|12-Hydroxyakuammicine|BAS 03603260|Curan-17-oic acid, 2,16,19,20-tetradehydro-12-hydroxy-, methyl ester, (19E)-|Methyl (19E)-12-hydroxy-2,16-didehydrocur-19-en-17-oate|methyl (1R,11S,12E,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate|(1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo(9.5.2.01,9.02,7.014,17)octadeca-2,4,6,9-tetraene-10-carboxylic acid|(1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylic acid|methyl (1R,11S,12E,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo(9.5.2.01,9.02,7.014,17)octadeca-2(7),3,5,9-tetraene-10-carboxylate

Molecular Formula	C20H22N2O3
Molecular Weight	338.16306 g/mol
LogP	2.5367
Topological Polar Surface Area	61.8 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	338.16306
Monoisotopic Mass	338.16306
Heavy Atoms	25
Complexity	856.49725

Chemical Identifiers

CAS Number	1963-86-6
SMILES	C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=C4C=CC=C5O)C(=O)OC