11-(4-tert-butylphenyl)-17-ethynyl-13-methyl-16,17-bis(oxidanyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 11-(4-tert-butylphenyl)-17-ethynyl-13-methyl-16,17-bis(oxidanyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 11-(4-tert-butylphenyl)-17-ethynyl-16,17-dihydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 11-(4-tert-butylphenyl)-17-ethynyl-16,17-dihydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 11-(4-tert-butylphenyl)-17-ethynyl-16,17-dihydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 11-(4-tert-butylphenyl)-17-ethynyl-16,17-dihydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C30H36O3 MolecularWeight: 444.60504

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CC(C2(C#C)O)O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CC(C2(C#C)O)O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C30H36O3/c1-6-30(33)26(32)16-25-23-13-9-19-15-21(31)12-14-22(19)27(23)24(17-29(25,30)5)18-7-10-20(11-8-18)28(2,3)4/h1,7-8,10-11,15,23-26,32-33H,9,12-14,16-17H2,2-5H3