[(9S,10R,13S,14S)-10-methyl-3,17-bis(oxidanylidene)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl nitrate

Systemtic Name: [(9S,10R,13S,14S)-10-methyl-3,17-bis(oxidanylidene)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl nitrate Openeye Name: [(9S,10R,13S,14S)-10-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl nitrate CAS Name: nitric acid [(9S,10R,13S,14S)-10-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl ester IUPAC Name: [(9S,10R,13S,14S)-10-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl nitrate Traditional Name: nitric acid [(9S,10R,13S,14S)-3,17-diketo-10-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)CO[N+](=O)[O-]

Isomeric SMILES

C[C@]12CCC(=O)C=C1CCC3[C@@H]2CC[C@]4([C@H]3CCC4=O)CO[N+](=O)[O-]

InChI

InChI=1S/C19H25NO5/c1-18-8-6-13(21)10-12(18)2-3-14-15(18)7-9-19(11-25-20(23)24)16(14)4-5-17(19)22/h10,14-16H,2-9,11H2,1H3/t14?,15-,16-,18-,19+/m0/s1