[2-[(10R,13S,17R)-17-ethoxycarbonyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 5-nitrooxypentanoate

Systemtic Name: [2-[(10R,13S,17R)-17-ethoxycarbonyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 5-nitrooxypentanoate 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] 5-nitrooxypentanoate CAS Name: 5-nitrooxypentanoic 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] 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] 5-nitrooxypentanoate Traditional Name: 5-nitrooxyvaleric 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] ester Formula: C29H39NO11 MolecularWeight: 577.62006

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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)CCCCO[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)CCCCO[N+](=O)[O-]

InChI

InChI=1S/C29H39NO11/c1-4-38-26(35)41-29(23(33)17-39-24(34)7-5-6-14-40-30(36)37)13-11-21-20-9-8-18-15-19(31)10-12-27(18,2)25(20)22(32)16-28(21,29)3/h10,12,15,20-22,25,32H,4-9,11,13-14,16-17H2,1-3H3/t20?,21?,22?,25?,27-,28-,29-/m0/s1