[(2E,8R,9S,13S,14S,17S)-13-methyl-3-oxidanylidene-2-(2-oxidanylidene-6-phenyl-1H-pyrimidin-4-ylidene)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(2E,8R,9S,13S,14S,17S)-13-methyl-3-oxidanylidene-2-(2-oxidanylidene-6-phenyl-1H-pyrimidin-4-ylidene)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(2E,8R,9S,13S,14S,17S)-13-methyl-3-oxo-2-(2-oxo-6-phenyl-1H-pyrimidin-4-ylidene)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(2E,8R,9S,13S,14S,17S)-13-methyl-3-oxo-2-(2-oxo-6-phenyl-1H-pyrimidin-4-ylidene)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(2E,8R,9S,13S,14S,17S)-13-methyl-3-oxo-2-(2-oxo-6-phenyl-1H-pyrimidin-4-ylidene)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(2E,8R,9S,13S,14S,17S)-3-keto-2-(2-keto-6-phenyl-1H-pyrimidin-4-ylidene)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)C(=C5C=C(NC(=O)N5)C6=CC=CC=C6)C=C34)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)/C(=C/5\C=C(NC(=O)N5)C6=CC=CC=C6)/C=C34)C

InChI

InChI=1S/C30H32N2O4/c1-17(33)36-28-11-10-24-21-9-8-19-14-27(34)23(15-22(19)20(21)12-13-30(24,28)2)26-16-25(31-29(35)32-26)18-6-4-3-5-7-18/h3-7,14-16,20-21,24,28H,8-13H2,1-2H3,(H2,31,32,35)/b26-23+/t20-,21+,24-,28-,30-/m0/s1