[16-bromanyl-11-(5-chloranylpentyl)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [16-bromanyl-11-(5-chloranylpentyl)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [16-bromo-11-(5-chloropentyl)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [16-bromo-11-(5-chloropentyl)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [16-bromo-11-(5-chloropentyl)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [16-bromo-11-(5-chloropentyl)-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C25H32BrClO3 MolecularWeight: 495.87678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3C(CC2)C4CC(C(=O)C4(CC3CCCCCCl)C)Br

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3C(CC2)C4CC(C(=O)C4(CC3CCCCCCl)C)Br

InChI

InChI=1S/C25H32BrClO3/c1-15(28)30-18-8-10-19-16(12-18)7-9-20-21-13-22(26)24(29)25(21,2)14-17(23(19)20)6-4-3-5-11-27/h8,10,12,17,20-23H,3-7,9,11,13-14H2,1-2H3