[3-(2-bromanylethanoyloxy)-4,4,8,10-tetramethyl-16-oxidanylidene-17-(2,3,5,5-tetramethylfuran-2-yl)-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-14-yl]methyl 2-bromanylethanoate

Systemtic Name: [3-(2-bromanylethanoyloxy)-4,4,8,10-tetramethyl-16-oxidanylidene-17-(2,3,5,5-tetramethylfuran-2-yl)-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-14-yl]methyl 2-bromanylethanoate Openeye Name: [3-(2-bromoacetyl)oxy-4,4,8,10-tetramethyl-16-oxo-17-(2,3,5,5-tetramethyl-2-furyl)-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-14-yl]methyl 2-bromoacetate CAS Name: 2-bromoacetic acid [3-(2-bromo-1-oxoethoxy)-4,4,8,10-tetramethyl-16-oxo-17-(2,3,5,5-tetramethyl-2-furanyl)-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-14-yl]methyl ester IUPAC Name: [3-(2-bromoacetyl)oxy-4,4,8,10-tetramethyl-16-oxo-17-(2,3,5,5-tetramethylfuran-2-yl)-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-14-yl]methyl 2-bromoacetate Traditional Name: 2-bromoacetic acid [3-(2-bromoacetyl)oxy-16-keto-4,4,8,10-tetramethyl-17-(2,3,5,5-tetramethyl-2-furyl)-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-14-yl]methyl ester Formula: C34H50Br2O6 MolecularWeight: 714.5652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(OC1(C)C2C3CCC4C5(CCC(C(C5CCC4(C3(CC2=O)COC(=O)CBr)C)(C)C)OC(=O)CBr)C)(C)C

Isomeric SMILES

CC1=CC(OC1(C)C2C3CCC4C5(CCC(C(C5CCC4(C3(CC2=O)COC(=O)CBr)C)(C)C)OC(=O)CBr)C)(C)C

InChI

InChI=1S/C34H50Br2O6/c1-20-15-29(2,3)42-33(20,8)28-21-9-10-24-31(6)13-12-25(41-27(39)18-36)30(4,5)23(31)11-14-32(24,7)34(21,16-22(28)37)19-40-26(38)17-35/h15,21,23-25,28H,9-14,16-19H2,1-8H3