4-[(6R,8S,10S,11S,13S,14S,16S)-17-(carboxymethyl)-9,11-bis(chloranyl)-6-fluoranyl-10,13,16-trimethyl-15-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(6R,8S,10S,11S,13S,14S,16S)-17-(carboxymethyl)-9,11-bis(chloranyl)-6-fluoranyl-10,13,16-trimethyl-15-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6R,8S,10S,11S,13S,14S,16S)-17-(carboxymethyl)-9,11-dichloro-6-fluoro-15-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxo-butanoic acid CAS Name: 4-[(6R,8S,10S,11S,13S,14S,16S)-17-(carboxymethyl)-9,11-dichloro-6-fluoro-15-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid IUPAC Name: 4-[(6R,8S,10S,11S,13S,14S,16S)-17-(carboxymethyl)-9,11-dichloro-6-fluoro-15-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid Traditional Name: 4-[(6R,8S,10S,11S,13S,14S,16S)-17-(carboxymethyl)-9,11-dichloro-6-fluoro-15-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-keto-butyric acid Formula: C26H31Cl2FO8 MolecularWeight: 561.423943

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(CC(=O)O)C(=O)C(CC(=O)O)O)C)Cl)Cl)C)F)O

Isomeric SMILES

C[C@@H]1C([C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2(C1(CC(=O)O)C(=O)C(CC(=O)O)O)C)Cl)Cl)C)F)O

InChI

InChI=1S/C26H31Cl2FO8/c1-11-21(36)20-14-7-15(29)13-6-12(30)4-5-23(13,2)26(14,28)17(27)9-24(20,3)25(11,10-19(34)35)22(37)16(31)8-18(32)33/h4-6,11,14-17,20-21,31,36H,7-10H2,1-3H3,(H,32,33)(H,34,35)/t11-,14+,15-,16?,17+,20-,21?,23+,24+,25?,26?/m1/s1