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

Systemtic Name: 11-(4-tert-butylphenyl)-13-methyl-16,17-bis(oxidanyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 11-(4-tert-butylphenyl)-16,17-dihydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 11-(4-tert-butylphenyl)-16,17-dihydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 11-(4-tert-butylphenyl)-16,17-dihydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 11-(4-tert-butylphenyl)-16,17-dihydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C31H38O3 MolecularWeight: 458.63162

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(C(CC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)C(C)(C)C)C)O)O

Isomeric SMILES

CC#CC1(C(CC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)C(C)(C)C)C)O)O

InChI

InChI=1S/C31H38O3/c1-6-15-31(34)27(33)17-26-24-13-9-20-16-22(32)12-14-23(20)28(24)25(18-30(26,31)5)19-7-10-21(11-8-19)29(2,3)4/h7-8,10-11,16,24-27,33-34H,9,12-14,17-18H2,1-5H3