[(3S,5R,8R,9S,10S,13R,14S,16S,17S)-16-acetyloxy-10,13-dimethyl-17-[1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17S)-16-acetyloxy-10,13-dimethyl-17-[1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17S)-16-acetoxy-14-hydroxy-10,13-dimethyl-17-(1-methyl-2,5-dioxo-pyrrol-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,5R,8R,9S,10S,13R,14S,16S,17S)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(1-methyl-2,5-dioxo-3-pyrrolyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17S)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(1-methyl-2,5-dioxopyrrol-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,5R,8R,9S,10S,13R,14S,16S,17S)-16-acetoxy-17-(2,5-diketo-1-methyl-3-pyrrolin-3-yl)-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C28H39NO7 MolecularWeight: 501.61176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CC(C4C5=CC(=O)N(C5=O)C)OC(=O)C)O)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)N(C5=O)C)OC(=O)C)O)C)C

InChI

InChI=1S/C28H39NO7/c1-15(30)35-18-8-10-26(3)17(12-18)6-7-21-20(26)9-11-27(4)24(19-13-23(32)29(5)25(19)33)22(36-16(2)31)14-28(21,27)34/h13,17-18,20-22,24,34H,6-12,14H2,1-5H3/t17-,18+,20+,21-,22+,24+,26+,27-,28+/m1/s1