(5S,9S,11Z,16R,17S,18R)-9-[(Z)-1-fluoranyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-12,16-dimethyl-5,17-bis(oxidanyl)-18-prop-2-enyl-8,15-dioxaspiro[3.15]nonadec-11-ene-7,19-dione

Systemtic Name: (5S,9S,11Z,16R,17S,18R)-9-[(Z)-1-fluoranyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-12,16-dimethyl-5,17-bis(oxidanyl)-18-prop-2-enyl-8,15-dioxaspiro[3.15]nonadec-11-ene-7,19-dione Openeye Name: (5S,9S,11Z,16R,17S,18R)-18-allyl-9-[(Z)-1-fluoro-2-(2-methylthiazol-4-yl)vinyl]-5,17-dihydroxy-12,16-dimethyl-8,15-dioxaspiro[3.15]nonadec-11-ene-7,19-dione CAS Name: (5S,9S,11Z,16R,17S,18R)-9-[(Z)-1-fluoro-2-(2-methyl-4-thiazolyl)ethenyl]-5,17-dihydroxy-12,16-dimethyl-18-prop-2-enyl-8,15-dioxaspiro[3.15]nonadec-11-ene-7,19-dione IUPAC Name: (5S,9S,11Z,16R,17S,18R)-9-[(Z)-1-fluoro-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-5,17-dihydroxy-12,16-dimethyl-18-prop-2-enyl-8,15-dioxaspiro[3.15]nonadec-11-ene-7,19-dione Traditional Name: (5S,9S,11Z,16R,17S,18R)-18-allyl-9-[(Z)-1-fluoro-2-(2-methylthiazol-4-yl)vinyl]-5,17-dihydroxy-12,16-dimethyl-8,15-dioxaspiro[3.15]nonadec-11-ene-7,19-quinone Formula: C28H38FNO6S MolecularWeight: 535.667823

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=O)C2(CCC2)C(CC(=O)OC(CC=C(CCO1)C)C(=CC3=CSC(=N3)C)F)O)CC=C)O

Isomeric SMILES

C[C@@H]1[C@H]([C@H](C(=O)C2(CCC2)[C@H](CC(=O)O[C@@H](C/C=C(\CCO1)/C)/C(=C/C3=CSC(=N3)C)/F)O)CC=C)O

InChI

InChI=1S/C28H38FNO6S/c1-5-7-21-26(33)18(3)35-13-10-17(2)8-9-23(22(29)14-20-16-37-19(4)30-20)36-25(32)15-24(31)28(27(21)34)11-6-12-28/h5,8,14,16,18,21,23-24,26,31,33H,1,6-7,9-13,15H2,2-4H3/b17-8-,22-14-/t18-,21-,23+,24+,26-/m1/s1