(10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl) hydrogen carbonate; pyridine-2,6-dicarboxylic acid

Systemtic Name: (10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl) hydrogen carbonate; pyridine-2,6-dicarboxylic acid Openeye Name: [10,13-dimethyl-17-(1-methylbutyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] hydrogen carbonate; pyridine-2,6-dicarboxylic acid CAS Name: carbonic acid (10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl) ester; pyridine-2,6-dicarboxylic acid IUPAC Name: (10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl) hydrogen carbonate; pyridine-2,6-dicarboxylic acid Traditional Name: carbonic acid [10,13-dimethyl-17-(1-methylbutyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] ester; dipicolinic acid Formula: C32H47NO7 MolecularWeight: 557.71808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4OC(=O)O)C)C.C1=CC(=NC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4OC(=O)O)C)C.C1=CC(=NC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C25H42O3.C7H5NO4/c1-5-7-16(2)18-11-12-19-17-9-10-21-22(28-23(26)27)8-6-14-24(21,3)20(17)13-15-25(18,19)4;9-6(10)4-2-1-3-5(8-4)7(11)12/h16-22H,5-15H2,1-4H3,(H,26,27);1-3H,(H,9,10)(H,11,12)