methyl 3-acetyloxy-6-bromanyl-10,13-dimethyl-7-oxidanylidene-17-pentan-2-yl-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carboxylate

Systemtic Name: methyl 3-acetyloxy-6-bromanyl-10,13-dimethyl-7-oxidanylidene-17-pentan-2-yl-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carboxylate Openeye Name: methyl 3-acetoxy-6-bromo-10,13-dimethyl-17-(1-methylbutyl)-7-oxo-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carboxylate CAS Name: 3-acetyloxy-6-bromo-10,13-dimethyl-7-oxo-17-pentan-2-yl-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carboxylic acid methyl ester IUPAC Name: methyl 3-acetyloxy-6-bromo-10,13-dimethyl-7-oxo-17-pentan-2-yl-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carboxylate Traditional Name: 3-acetoxy-6-bromo-7-keto-10,13-dimethyl-17-(1-methylbutyl)-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-5-carboxylic acid methyl ester Formula: C28H43BrO5 MolecularWeight: 539.54202

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1CCC2C1(CCC3C2C(=O)C(C4(C3(CCC(C4)OC(=O)C)C)C(=O)OC)Br)C

Isomeric SMILES

CCCC(C)C1CCC2C1(CCC3C2C(=O)C(C4(C3(CCC(C4)OC(=O)C)C)C(=O)OC)Br)C

InChI

InChI=1S/C28H43BrO5/c1-7-8-16(2)19-9-10-20-22-21(12-13-26(19,20)4)27(5)14-11-18(34-17(3)30)15-28(27,25(32)33-6)24(29)23(22)31/h16,18-22,24H,7-15H2,1-6H3