(8R,9S,13S,14S,17S)-3,17-dimethoxy-13-methyl-2-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

Systemtic Name: (8R,9S,13S,14S,17S)-3,17-dimethoxy-13-methyl-2-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene Openeye Name: (8R,9S,13S,14S,17S)-3,17-dimethoxy-13-methyl-2-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene CAS Name: (8R,9S,13S,14S,17S)-3,17-dimethoxy-13-methyl-2-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene IUPAC Name: (8R,9S,13S,14S,17S)-3,17-dimethoxy-13-methyl-2-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene Traditional Name: (8R,9S,13S,14S,17S)-3,17-dimethoxy-13-methyl-2-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC)CCC4=CC(=C(C=C34)[N+](=O)[O-])OC

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC)CCC4=CC(=C(C=C34)[N+](=O)[O-])OC

InChI

InChI=1S/C20H27NO4/c1-20-9-8-13-14(16(20)6-7-19(20)25-3)5-4-12-10-18(24-2)17(21(22)23)11-15(12)13/h10-11,13-14,16,19H,4-9H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1