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

Systemtic Name: 13-methyl-16,17-bis(oxidanyl)-11-(4-propan-2-ylphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 16,17-dihydroxy-11-(4-isopropylphenyl)-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 16,17-dihydroxy-13-methyl-11-(4-propan-2-ylphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 16,17-dihydroxy-13-methyl-11-(4-propan-2-ylphenyl)-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 16,17-dihydroxy-13-methyl-11-p-cumenyl-17-prop-1-ynyl-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:

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

InChI

InChI=1S/C30H36O3/c1-5-14-30(33)27(32)16-26-24-12-10-21-15-22(31)11-13-23(21)28(24)25(17-29(26,30)4)20-8-6-19(7-9-20)18(2)3/h6-9,15,18,24-27,32-33H,10-13,16-17H2,1-4H3