[(10R,13S,17R)-10,13-dimethyl-17-[2-(3-nitrooxypropoxycarbonyloxy)ethanoyl]-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate

Systemtic Name: [(10R,13S,17R)-10,13-dimethyl-17-[2-(3-nitrooxypropoxycarbonyloxy)ethanoyl]-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate Openeye Name: [2-[(10R,13S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 3-nitrooxypropyl carbonate CAS Name: carbonic acid [2-[(10R,13S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3-nitrooxypropyl ester IUPAC Name: [2-[(10R,13S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3-nitrooxypropyl carbonate Traditional Name: carbonic acid [2-[(10R,13S,17R)-17-carbethoxyoxy-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] 3-nitrooxypropyl ester Formula: C28H37NO12 MolecularWeight: 579.59288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COC(=O)OCCCO[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)O[C@@]1(CCC2[C@@]1(CC(C3C2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)COC(=O)OCCCO[N+](=O)[O-]

InChI

InChI=1S/C28H37NO12/c1-4-37-25(34)41-28(22(32)16-39-24(33)38-12-5-13-40-29(35)36)11-9-20-19-7-6-17-14-18(30)8-10-26(17,2)23(19)21(31)15-27(20,28)3/h8,10,14,19-21,23,31H,4-7,9,11-13,15-16H2,1-3H3/t19?,20?,21?,23?,26-,27-,28-/m0/s1