(3S,7S,10R,11S,12S)-16-chloranyl-3-[(Z)-1-fluoranyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-10,12-dimethyl-7,11-bis(oxidanyl)spiro[4,17-dioxabicyclo[14.1.0]heptadecane-8,1'-cyclobutane]-5,9-dione

Systemtic Name: (3S,7S,10R,11S,12S)-16-chloranyl-3-[(Z)-1-fluoranyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-10,12-dimethyl-7,11-bis(oxidanyl)spiro[4,17-dioxabicyclo[14.1.0]heptadecane-8,1'-cyclobutane]-5,9-dione Openeye Name: (3S,7S,10R,11S,12S)-16-chloro-3-[(Z)-1-fluoro-2-(2-methylthiazol-4-yl)vinyl]-7,11-dihydroxy-10,12-dimethyl-spiro[4,17-dioxabicyclo[14.1.0]heptadecane-8,1'-cyclobutane]-5,9-dione CAS Name: (3S,7S,10R,11S,12S)-16-chloro-3-[(Z)-1-fluoro-2-(2-methyl-4-thiazolyl)ethenyl]-7,11-dihydroxy-10,12-dimethylspiro[4,17-dioxabicyclo[14.1.0]heptadecane-8,1'-cyclobutane]-5,9-dione IUPAC Name: (3S,7S,10R,11S,12S)-16-chloro-3-[(Z)-1-fluoro-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-7,11-dihydroxy-10,12-dimethylspiro[4,17-dioxabicyclo[14.1.0]heptadecane-8,1'-cyclobutane]-5,9-dione Traditional Name: (3S,7S,10R,11S,12S)-16-chloro-3-[(Z)-1-fluoro-2-(2-methylthiazol-4-yl)vinyl]-7,11-dihydroxy-10,12-dimethyl-spiro[4,17-dioxabicyclo[14.1.0]heptadecane-8,1'-cyclobutane]-5,9-quinone Formula: C26H35ClFNO6S MolecularWeight: 544.075603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2(C(O2)CC(OC(=O)CC(C3(CCC3)C(=O)C(C1O)C)O)C(=CC4=CSC(=N4)C)F)Cl

Isomeric SMILES

C[C@H]1CCCC2(C(O2)C[C@H](OC(=O)C[C@@H](C3(CCC3)C(=O)[C@@H]([C@H]1O)C)O)/C(=C/C4=CSC(=N4)C)/F)Cl

InChI

InChI=1S/C26H35ClFNO6S/c1-14-6-4-9-26(27)21(35-26)11-19(18(28)10-17-13-36-16(3)29-17)34-22(31)12-20(30)25(7-5-8-25)24(33)15(2)23(14)32/h10,13-15,19-21,23,30,32H,4-9,11-12H2,1-3H3/b18-10-/t14-,15+,19-,20-,21?,23-,26?/m0/s1