[1-acetyloxy-7-bromanyl-17-(6-fluoranyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [1-acetyloxy-7-bromanyl-17-(6-fluoranyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [1-acetoxy-7-bromo-17-(5-fluoro-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [1-acetyloxy-7-bromo-17-(6-fluoro-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [1-acetyloxy-7-bromo-17-(6-fluoro-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [1-acetoxy-7-bromo-17-(5-fluoro-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C31H48BrFO4 MolecularWeight: 583.612823

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)F)C1CCC2C1(CCC3C2C(C=C4C3(C(CC(C4)OC(=O)C)OC(=O)C)C)Br)C

Isomeric SMILES

CC(CCCC(C)(C)F)C1CCC2C1(CCC3C2C(C=C4C3(C(CC(C4)OC(=O)C)OC(=O)C)C)Br)C

InChI

InChI=1S/C31H48BrFO4/c1-18(9-8-13-29(4,5)33)23-10-11-24-28-25(12-14-30(23,24)6)31(7)21(16-26(28)32)15-22(36-19(2)34)17-27(31)37-20(3)35/h16,18,22-28H,8-15,17H2,1-7H3