[(8R,9S,13S,14S,17S)-3-acetyloxy-13-methyl-2-(6-phenylpyridazin-3-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(8R,9S,13S,14S,17S)-3-acetyloxy-13-methyl-2-(6-phenylpyridazin-3-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(8R,9S,13S,14S,17S)-3-acetoxy-13-methyl-2-(6-phenylpyridazin-3-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(8R,9S,13S,14S,17S)-3-acetyloxy-13-methyl-2-(6-phenyl-3-pyridazinyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-3-acetyloxy-13-methyl-2-(6-phenylpyridazin-3-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(8R,9S,13S,14S,17S)-3-acetoxy-13-methyl-2-(6-phenylpyridazin-3-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C32H34N2O4 MolecularWeight: 510.62336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=C(C(=C4)OC(=O)C)C5=NN=C(C=C5)C6=CC=CC=C6)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=C(C(=C4)OC(=O)C)C5=NN=C(C=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C32H34N2O4/c1-19(35)37-30-17-22-9-10-24-23(15-16-32(3)27(24)11-14-31(32)38-20(2)36)25(22)18-26(30)29-13-12-28(33-34-29)21-7-5-4-6-8-21/h4-8,12-13,17-18,23-24,27,31H,9-11,14-16H2,1-3H3/t23-,24+,27-,31-,32-/m0/s1