[(8S,9R,10S,11S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 1-methylindazole-6-carboxylate

Systemtic Name: [(8S,9R,10S,11S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 1-methylindazole-6-carboxylate Openeye Name: [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 1-methylindazole-6-carboxylate CAS Name: 1-methyl-6-indazolecarboxylic acid [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ester IUPAC Name: [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 1-methylindazole-6-carboxylate Traditional Name: 1-methylindazole-6-carboxylic acid [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-3-keto-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ester Formula: C30H34N2O4 MolecularWeight: 486.60196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CC(C3C2C=CC4=CC(=O)CCC34C)OC(=O)C5=CC6=C(C=C5)C=NN6C)C

Isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@@H]3[C@H]2C=CC4=CC(=O)CC[C@@]34C)OC(=O)C5=CC6=C(C=C5)C=NN6C)C

InChI

InChI=1S/C30H34N2O4/c1-17(33)23-9-10-24-22-8-7-20-14-21(34)11-12-29(20,2)27(22)26(15-30(23,24)3)36-28(35)18-5-6-19-16-31-32(4)25(19)13-18/h5-8,13-14,16,22-24,26-27H,9-12,15H2,1-4H3/t22-,23+,24-,26-,27-,29+,30+/m0/s1