nitro (10R,13S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate

Systemtic Name: nitro (10R,13S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate Openeye Name: nitro (10R,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate CAS Name: (10R,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid nitro ester IUPAC Name: nitro (10R,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate Traditional Name: (10R,13S,17R)-11,17-dihydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid nitro ester Formula: C20H25NO7 MolecularWeight: 391.415

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2(C(=O)O[N+](=O)[O-])O)CCC4=CC(=O)C=CC34C)O

Isomeric SMILES

C[C@]12CC(C3C(C1CC[C@@]2(C(=O)O[N+](=O)[O-])O)CCC4=CC(=O)C=C[C@]34C)O

InChI

InChI=1S/C20H25NO7/c1-18-7-5-12(22)9-11(18)3-4-13-14-6-8-20(25,17(24)28-21(26)27)19(14,2)10-15(23)16(13)18/h5,7,9,13-16,23,25H,3-4,6,8,10H2,1-2H3/t13?,14?,15?,16?,18-,19-,20-/m0/s1