[(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-16-imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-16-imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetoxy-16-imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-16-(1-imidazolyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-16-imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8R,9S,10R,13S,14S,17R)-17-acetoxy-16-imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4OC(=O)C)N5C=CN=C5)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC([C@@H]4OC(=O)C)N5C=CN=C5)C)C

InChI

InChI=1S/C26H36N2O4/c1-16(29)31-19-7-9-25(3)18(13-19)5-6-20-21(25)8-10-26(4)22(20)14-23(24(26)32-17(2)30)28-12-11-27-15-28/h5,11-12,15,19-24H,6-10,13-14H2,1-4H3/t19-,20+,21-,22-,23?,24-,25-,26-/m0/s1