2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethanoic acid; (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethanoic acid; (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Openeye Name: 2-cyclopentyl-2-[4-(2-quinolylmethoxy)phenyl]acetic acid; (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one CAS Name: 2-cyclopentyl-2-[4-(2-quinolinylmethoxy)phenyl]acetic acid; (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid; (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Traditional Name: 2-cyclopentyl-2-[4-(2-quinolylmethoxy)phenyl]acetic acid; (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Formula: C45H52FNO8 MolecularWeight: 753.894683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.C1CCC(C1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C.C1CCC(C1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C23H23NO3.C22H29FO5/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19;1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26);6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t;12-,15+,16+,17+,19+,20+,21+,22+/m.1/s1