11-(4-tert-butylphenyl)-17-(2-chloranylethynyl)-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-(2-chloranylethynyl)-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-(2-chloroethynyl)-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-(2-chloroethynyl)-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-(2-chloroethynyl)-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-(2-chloroethynyl)-16,17-dihydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C30H35ClO3 MolecularWeight: 479.0501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35ClO3/c1-28(2,3)20-8-5-18(6-9-20)24-17-29(4)25(16-26(33)30(29,34)13-14-31)23-11-7-19-15-21(32)10-12-22(19)27(23)24/h5-6,8-9,15,23-26,33-34H,7,10-12,16-17H2,1-4H3