[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-(2,2-dimethylpropanoyloxy)-10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-(2,2-dimethylpropanoyloxy)-10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate Openeye Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-(2,2-dimethylpropanoyloxy)-10,13-dimethyl-2,16-bis(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-(2,2-dimethyl-1-oxopropoxy)-10,13-dimethyl-2,16-bis(1-piperidinyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-(2,2-dimethylpropanoyloxy)-10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2,16-dipiperidino-17-pivaloyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C39H66N2O4 MolecularWeight: 626.95234

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(C2OC(=O)C(C)(C)C)N4CCCCC4)CCC5C3(CC(C(C5)OC(=O)C(C)(C)C)N6CCCCC6)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2OC(=O)C(C)(C)C)N4CCCCC4)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)OC(=O)C(C)(C)C)N6CCCCC6)C

InChI

InChI=1S/C39H66N2O4/c1-36(2,3)34(42)44-32-23-26-15-16-27-28(39(26,8)25-31(32)41-21-13-10-14-22-41)17-18-38(7)29(27)24-30(40-19-11-9-12-20-40)33(38)45-35(43)37(4,5)6/h26-33H,9-25H2,1-8H3/t26-,27+,28-,29-,30-,31-,32-,33-,38-,39-/m0/s1