ethyl 4-[2-(17-methoxy-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(17-methoxy-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(3-hydroxy-17-methoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)ethynyl]benzoate CAS Name: 4-[2-(3-hydroxy-17-methoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-hydroxy-17-methoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)ethynyl]benzoate Traditional Name: 4-[2-(3-hydroxy-17-methoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl)ethynyl]benzoic acid ethyl ester Formula: C31H42O4 MolecularWeight: 478.66278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2(CCC3(C(C2)CCC4C3CCC5(C4CCC5OC)C)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2(CCC3(C(C2)CCC4C3CCC5(C4CCC5OC)C)C)O

InChI

InChI=1S/C31H42O4/c1-5-35-28(32)22-8-6-21(7-9-22)14-17-31(33)19-18-29(2)23(20-31)10-11-24-25-12-13-27(34-4)30(25,3)16-15-26(24)29/h6-9,23-27,33H,5,10-13,15-16,18-20H2,1-4H3