6-bromanyl-11-(4-dimethylaminophenyl)-13-methyl-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 6-bromanyl-11-(4-dimethylaminophenyl)-13-methyl-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: 6-bromo-11-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: 6-bromo-11-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 6-bromo-11-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: 6-bromo-11-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C29H36BrNO2 MolecularWeight: 510.50564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2C1(CC(C3C2CC(C4=CC(=O)CCC34)Br)C5=CC=C(C=C5)N(C)C)C)O

Isomeric SMILES

CC#CC1(CCC2C1(CC(C3C2CC(C4=CC(=O)CCC34)Br)C5=CC=C(C=C5)N(C)C)C)O

InChI

InChI=1S/C29H36BrNO2/c1-5-13-29(33)14-12-25-23-16-26(30)22-15-20(32)10-11-21(22)27(23)24(17-28(25,29)2)18-6-8-19(9-7-18)31(3)4/h6-9,15,21,23-27,33H,10-12,14,16-17H2,1-4H3