[(8R,9R,10S,13S,14R,17S)-10-(tert-butylcarbamoyloxymethyl)-13-methyl-8-oxidanyl-3-oxidanylidene-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate

Systemtic Name: [(8R,9R,10S,13S,14R,17S)-10-(tert-butylcarbamoyloxymethyl)-13-methyl-8-oxidanyl-3-oxidanylidene-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Openeye Name: [(8R,9R,10S,13S,14R,17S)-10-(tert-butylcarbamoyloxymethyl)-8-hydroxy-13-methyl-3-oxo-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(8R,9R,10S,13S,14R,17S)-10-[[(tert-butylamino)-oxomethoxy]methyl]-8-hydroxy-13-methyl-3-oxo-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9R,10S,13S,14R,17S)-10-(tert-butylcarbamoyloxymethyl)-8-hydroxy-13-methyl-3-oxo-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(8R,9R,10S,13S,14R,17S)-10-(tert-butylcarbamoyloxymethyl)-8-hydroxy-3-keto-13-methyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C29H43NO6 MolecularWeight: 501.65482

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C4(CCC(=O)C=C4C=CC3(C1CCC2OC(=O)C(C)(C)C)O)COC(=O)NC(C)(C)C

Isomeric SMILES

C[C@]12CC[C@@H]3[C@]4(CCC(=O)C=C4C=C[C@@]3([C@@H]1CC[C@@H]2OC(=O)C(C)(C)C)O)COC(=O)NC(C)(C)C

InChI

InChI=1S/C29H43NO6/c1-25(2,3)23(32)36-22-9-8-20-27(22,7)13-12-21-28(17-35-24(33)30-26(4,5)6)14-11-19(31)16-18(28)10-15-29(20,21)34/h10,15-16,20-22,34H,8-9,11-14,17H2,1-7H3,(H,30,33)/t20-,21-,22+,27+,28-,29+/m1/s1