(7,13-dimethyl-17-oxidanyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) dodecanoate

Systemtic Name: (7,13-dimethyl-17-oxidanyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) dodecanoate Openeye Name: (17-hydroxy-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) dodecanoate CAS Name: dodecanoic acid (17-hydroxy-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (17-hydroxy-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) dodecanoate Traditional Name: lauric acid (17-hydroxy-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) ester Formula: C31H52O3 MolecularWeight: 472.74278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1CCC2C3CCC4(C(C3C(CC2=C1)C)CCC4O)C

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1CCC2C3CCC4(C(C3C(CC2=C1)C)CCC4O)C

InChI

InChI=1S/C31H52O3/c1-4-5-6-7-8-9-10-11-12-13-29(33)34-24-14-15-25-23(21-24)20-22(2)30-26(25)18-19-31(3)27(30)16-17-28(31)32/h21-22,24-28,30,32H,4-20H2,1-3H3