[(3S,8R,9S,10R,13S,14S,17E)-17-[(2E)-2-hydroxyiminoethylidene]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8R,9S,10R,13S,14S,17E)-17-[(2E)-2-hydroxyiminoethylidene]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8R,9S,10R,13S,14S,17E)-17-[(2E)-2-hydroxyiminoethylidene]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8R,9S,10R,13S,14S,17E)-17-[(2E)-2-hydroxyiminoethylidene]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8R,9S,10R,13S,14S,17E)-17-[(2E)-2-hydroxyiminoethylidene]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8R,9S,10R,13S,14S,17E)-17-[(2E)-2-hydroximinoethylidene]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=CC=NO)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO3/c1-15(25)27-18-8-11-23(3)17(14-18)4-6-19-20-7-5-16(10-13-24-26)22(20,2)12-9-21(19)23/h4,10,13,18-21,26H,5-9,11-12,14H2,1-3H3/b16-10+,24-13+/t18-,19-,20-,21-,22+,23-/m0/s1