1-[3-[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]phenyl]ethanone

Systemtic Name: 1-[3-[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]phenyl]ethanone Openeye Name: 1-[3-[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]phenyl]ethanone CAS Name: 1-[3-[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]phenyl]ethanone IUPAC Name: 1-[3-[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]phenyl]ethanone Traditional Name: 1-[3-[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]phenyl]ethanone Formula: C30H40O3 MolecularWeight: 448.6368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40O3/c1-20(31)22-7-5-6-21(18-22)12-15-30(32)17-16-28(2)23(19-30)8-9-24-25-10-11-27(33-4)29(25,3)14-13-26(24)28/h5-7,18,23-27,32H,8-11,13-14,16-17,19H2,1-4H3