10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; pyridine-3-carboxylate

Systemtic Name: 10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; pyridine-3-carboxylate Openeye Name: 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; pyridine-3-carboxylate CAS Name: 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; 3-pyridinecarboxylate IUPAC Name: 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; pyridine-3-carboxylate Traditional Name: 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; nicotinate Formula: C25H32NO4- MolecularWeight: 410.52588

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C.C1=CC(=CN=C1)C(=O)[O-]

Isomeric SMILES

CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C.C1=CC(=CN=C1)C(=O)[O-]

InChI

InChI=1S/C19H28O2.C6H5NO2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18;8-6(9)5-2-1-3-7-4-5/h11,14-17,21H,3-10H2,1-2H3;1-4H,(H,8,9)/p-1