3-[17-(2-chloranylethanoyl)-6,9-bis(fluoranyl)-10,13,16-trimethyl-2,2-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid

Systemtic Name: 3-[17-(2-chloranylethanoyl)-6,9-bis(fluoranyl)-10,13,16-trimethyl-2,2-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid Openeye Name: 3-[17-(2-chloroacetyl)-6,9-difluoro-2,2-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid CAS Name: 3-[17-(2-chloro-1-oxoethyl)-6,9-difluoro-2,2-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid IUPAC Name: 3-[17-(2-chloroacetyl)-6,9-difluoro-2,2-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid Traditional Name: 3-[17-(2-chloroacetyl)-6,9-difluoro-2,2-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propionic acid Formula: C25H33ClF2O6 MolecularWeight: 502.975726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C(CC4(C3(CCC2(C1(CCC(=O)O)C(=O)CCl)C)F)C)(O)O)F

Isomeric SMILES

CC1CC2C3CC(C4=CC(=O)C(CC4(C3(CCC2(C1(CCC(=O)O)C(=O)CCl)C)F)C)(O)O)F

InChI

InChI=1S/C25H33ClF2O6/c1-13-8-14-15-9-17(27)16-10-18(29)25(33,34)12-22(16,3)24(15,28)7-6-21(14,2)23(13,19(30)11-26)5-4-20(31)32/h10,13-15,17,33-34H,4-9,11-12H2,1-3H3,(H,31,32)