[17-(2-acetyloxyethanoyl)-9-bromanyl-6,10,13,16-tetramethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate

Systemtic Name: [17-(2-acetyloxyethanoyl)-9-bromanyl-6,10,13,16-tetramethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate Openeye Name: [17-(2-acetoxyacetyl)-9-bromo-11-hydroxy-6,10,13,16-tetramethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate CAS Name: butanoic acid [17-(2-acetyloxy-1-oxoethyl)-9-bromo-11-hydroxy-6,10,13,16-tetramethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [17-(2-acetyloxyacetyl)-9-bromo-11-hydroxy-6,10,13,16-tetramethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate Traditional Name: butyric acid [17-(2-acetoxyacetyl)-9-bromo-11-hydroxy-3-keto-6,10,13,16-tetramethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C29H39BrO7 MolecularWeight: 579.51976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)C)Br)O)C)C)C(=O)COC(=O)C

Isomeric SMILES

CCCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)C)Br)O)C)C)C(=O)COC(=O)C

InChI

InChI=1S/C29H39BrO7/c1-7-8-25(35)37-29(24(34)15-36-18(4)31)17(3)12-21-22-11-16(2)20-13-19(32)9-10-26(20,5)28(22,30)23(33)14-27(21,29)6/h9-10,13,16-17,21-23,33H,7-8,11-12,14-15H2,1-6H3