11-(4-tert-butylphenyl)-17-(3-methoxyprop-1-ynyl)-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-(3-methoxyprop-1-ynyl)-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)-16,17-dihydroxy-17-(3-methoxyprop-1-ynyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 11-(4-tert-butylphenyl)-16,17-dihydroxy-17-(3-methoxyprop-1-ynyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 11-(4-tert-butylphenyl)-16,17-dihydroxy-17-(3-methoxyprop-1-ynyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 11-(4-tert-butylphenyl)-16,17-dihydroxy-17-(3-methoxyprop-1-ynyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C32H40O4 MolecularWeight: 488.6576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H40O4/c1-30(2,3)22-10-7-20(8-11-22)26-19-31(4)27(18-28(34)32(31,35)15-6-16-36-5)25-13-9-21-17-23(33)12-14-24(21)29(25)26/h7-8,10-11,17,25-28,34-35H,9,12-14,16,18-19H2,1-5H3