[(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-16-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-16-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-16-[[3-methoxy-4-(2-morpholinoethoxy)phenyl]methylene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-16-[[3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]methylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroxyimino-16-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8R,9S,10R,13S,14S,16E,17E)-17-hydroximino-16-[3-methoxy-4-(2-morpholinoethoxy)benzylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C35H48N2O6 MolecularWeight: 592.76542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCN6CCOCC6)OC)C4=NO)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]\4([C@H]([C@@H]3CC=C2C1)C/C(=C\C5=CC(=C(C=C5)OCCN6CCOCC6)OC)/C4=N\O)C)C

InChI

InChI=1S/C35H48N2O6/c1-23(38)43-27-9-11-34(2)26(22-27)6-7-28-29(34)10-12-35(3)30(28)21-25(33(35)36-39)19-24-5-8-31(32(20-24)40-4)42-18-15-37-13-16-41-17-14-37/h5-6,8,19-20,27-30,39H,7,9-18,21-22H2,1-4H3/b25-19+,36-33+/t27-,28+,29-,30-,34-,35-/m0/s1