[(11S,13S,16S)-13-methyl-3,16-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] nitrate

Systemtic Name: [(11S,13S,16S)-13-methyl-3,16-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] nitrate Openeye Name: [(11S,13S,16S)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] nitrate CAS Name: nitric acid [(11S,13S,16S)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ester IUPAC Name: [(11S,13S,16S)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] nitrate Traditional Name: nitric acid [(11S,13S,16S)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(CC1C3CCC4=C(C3C(C2)O[N+](=O)[O-])C=CC(=C4)O)O

Isomeric SMILES

C[C@@]12C[C@H](CC1C3CCC4=C(C3[C@H](C2)O[N+](=O)[O-])C=CC(=C4)O)O

InChI

InChI=1S/C18H23NO5/c1-18-8-12(21)7-15(18)14-4-2-10-6-11(20)3-5-13(10)17(14)16(9-18)24-19(22)23/h3,5-6,12,14-17,20-21H,2,4,7-9H2,1H3/t12-,14?,15?,16-,17?,18-/m0/s1