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

Systemtic Name: 3-[9-chloranyl-6-fluoranyl-17-methoxycarbonyl-10,13,16-trimethyl-2,3-bis(oxidanyl)-1-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]propanoic acid Openeye Name: 3-(9-chloro-6-fluoro-2,3-dihydroxy-17-methoxycarbonyl-10,13,16-trimethyl-1-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propanoic acid CAS Name: 3-(9-chloro-6-fluoro-2,3-dihydroxy-17-methoxycarbonyl-10,13,16-trimethyl-1-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propanoic acid IUPAC Name: 3-(9-chloro-6-fluoro-2,3-dihydroxy-17-methoxycarbonyl-10,13,16-trimethyl-1-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propanoic acid Traditional Name: 3-(17-carbomethoxy-9-chloro-6-fluoro-2,3-dihydroxy-1-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)propionic acid Formula: C25H32ClFO7 MolecularWeight: 498.968783

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=C(C(=O)C4(C3(CCC2(C1(CCC(=O)O)C(=O)OC)C)Cl)C)O)O)F

Isomeric SMILES

CC1CC2C3CC(C4=CC(=C(C(=O)C4(C3(CCC2(C1(CCC(=O)O)C(=O)OC)C)Cl)C)O)O)F

InChI

InChI=1S/C25H32ClFO7/c1-12-9-13-14-10-16(27)15-11-17(28)19(31)20(32)23(15,3)25(14,26)8-7-22(13,2)24(12,21(33)34-4)6-5-18(29)30/h11-14,16,28,31H,5-10H2,1-4H3,(H,29,30)