(17-ethanoyl-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl) pyridine-3-carboxylate

Systemtic Name: (17-ethanoyl-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl) pyridine-3-carboxylate Openeye Name: (17-acetyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (17-acetyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl) ester IUPAC Name: (17-acetyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl) pyridine-3-carboxylate Traditional Name: nicotinic acid (17-acetyl-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl) ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)C(=CC34C)OC(=O)C5=CN=CC=C5)C

Isomeric SMILES

CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)C(=CC34C)OC(=O)C5=CN=CC=C5)C

InChI

InChI=1S/C27H31NO4/c1-16(29)20-8-9-21-19-7-6-18-13-23(30)24(32-25(31)17-5-4-12-28-15-17)14-27(18,3)22(19)10-11-26(20,21)2/h4-5,12-15,19-22H,6-11H2,1-3H3