11-[2-(3-ethanoylphenyl)ethynyl]-13-methyl-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 11-[2-(3-ethanoylphenyl)ethynyl]-13-methyl-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: 11-[2-(3-acetylphenyl)ethynyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: 11-[2-(3-acetylphenyl)ethynyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 11-[2-(3-acetylphenyl)ethynyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: 11-[2-(3-acetylphenyl)ethynyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C31H34O3 MolecularWeight: 454.59986

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34)C#CC5=CC(=CC=C5)C(=O)C)C)O

Isomeric SMILES

CC#CC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34)C#CC5=CC(=CC=C5)C(=O)C)C)O

InChI

InChI=1S/C31H34O3/c1-4-15-31(34)16-14-28-27-12-10-23-18-25(33)11-13-26(23)29(27)24(19-30(28,31)3)9-8-21-6-5-7-22(17-21)20(2)32/h5-7,17-18,24,26-29,34H,10-14,16,19H2,1-3H3