(3S,7S,10R,11S,12R,16R)-3-[(Z)-1-fluoranyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-8,8,10,12,16-pentamethyl-7,11-bis(oxidanyl)-4,13,17-trioxabicyclo[14.1.0]heptadecane-5,9-dione

Systemtic Name: (3S,7S,10R,11S,12R,16R)-3-[(Z)-1-fluoranyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-8,8,10,12,16-pentamethyl-7,11-bis(oxidanyl)-4,13,17-trioxabicyclo[14.1.0]heptadecane-5,9-dione Openeye Name: (3S,7S,10R,11S,12R,16R)-3-[(Z)-1-fluoro-2-(2-methylthiazol-4-yl)vinyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,13,17-trioxabicyclo[14.1.0]heptadecane-5,9-dione CAS Name: (3S,7S,10R,11S,12R,16R)-3-[(Z)-1-fluoro-2-(2-methyl-4-thiazolyl)ethenyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,13,17-trioxabicyclo[14.1.0]heptadecane-5,9-dione IUPAC Name: (3S,7S,10R,11S,12R,16R)-3-[(Z)-1-fluoro-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,13,17-trioxabicyclo[14.1.0]heptadecane-5,9-dione Traditional Name: (3S,7S,10R,11S,12R,16R)-3-[(Z)-1-fluoro-2-(2-methylthiazol-4-yl)vinyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,13,17-trioxabicyclo[14.1.0]heptadecane-5,9-quinone Formula: C25H36FNO7S MolecularWeight: 513.619243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(OCCC2(C(O2)CC(OC(=O)CC(C(C1=O)(C)C)O)C(=CC3=CSC(=N3)C)F)C)C)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@H](OCC[C@@]2(C(O2)C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C3=CSC(=N3)C)/F)C)C)O

InChI

InChI=1S/C25H36FNO7S/c1-13-22(30)14(2)32-8-7-25(6)20(34-25)10-18(17(26)9-16-12-35-15(3)27-16)33-21(29)11-19(28)24(4,5)23(13)31/h9,12-14,18-20,22,28,30H,7-8,10-11H2,1-6H3/b17-9-/t13-,14-,18+,19+,20?,22+,25-/m1/s1