[(3S,10R,13R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrolidine-3-carboxylate

Systemtic Name: [(3S,10R,13R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrolidine-3-carboxylate Openeye Name: [(3S,10R,13R)-17-[(1S)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrolidine-3-carboxylate CAS Name: 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-pyrrolidinecarboxylic acid [(3S,10R,13R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,10R,13R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 1-$l^{1}-oxidanyl-2,2,5,5-tetramethylpyrrolidine-3-carboxylate Traditional Name: 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrolidine-3-carboxylic acid [(3S,10R,13R)-17-[(1S)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C36H60NO3 MolecularWeight: 554.8665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5CC(N(C5(C)C)[O])(C)C)C)C

Isomeric SMILES

C[C@@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5CC(N(C5(C)C)[O])(C)C)C)C

InChI

InChI=1S/C36H60NO3/c1-23(2)11-10-12-24(3)28-15-16-29-27-14-13-25-21-26(17-19-35(25,8)30(27)18-20-36(28,29)9)40-32(38)31-22-33(4,5)37(39)34(31,6)7/h13,23-24,26-31H,10-12,14-22H2,1-9H3/t24-,26-,27?,28?,29?,30?,31?,35-,36+/m0/s1