(1S,3S,7S,10R,11S,12S,16R)-16-ethyl-3-[(E)-1-[2-(fluoranylmethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-8,8,10,12-tetramethyl-7,11-bis(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

Systemtic Name: (1S,3S,7S,10R,11S,12S,16R)-16-ethyl-3-[(E)-1-[2-(fluoranylmethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-8,8,10,12-tetramethyl-7,11-bis(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione Openeye Name: (1S,3S,7S,10R,11S,12S,16R)-16-ethyl-3-[(E)-2-[2-(fluoromethyl)thiazol-4-yl]-1-methyl-vinyl]-7,11-dihydroxy-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione CAS Name: (1S,3S,7S,10R,11S,12S,16R)-16-ethyl-3-[(E)-1-[2-(fluoromethyl)-4-thiazolyl]prop-1-en-2-yl]-7,11-dihydroxy-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione IUPAC Name: (1S,3S,7S,10R,11S,12S,16R)-16-ethyl-3-[(E)-1-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-7,11-dihydroxy-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione Traditional Name: (1S,3S,7S,10R,11S,12S,16R)-16-ethyl-3-[(E)-2-[2-(fluoromethyl)thiazol-4-yl]-1-methyl-vinyl]-7,11-dihydroxy-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-quinone Formula: C28H42FNO6S MolecularWeight: 539.699583

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCCC(C(C(C(=O)C(C(CC(=O)OC(CC1O2)C(=CC3=CSC(=N3)CF)C)O)(C)C)C)O)C

Isomeric SMILES

CC[C@@]12CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O[C@@H](C[C@@H]1O2)/C(=C/C3=CSC(=N3)CF)/C)O)(C)C)C)O)C

InChI

InChI=1S/C28H42FNO6S/c1-7-28-10-8-9-16(2)25(33)18(4)26(34)27(5,6)21(31)13-24(32)35-20(12-22(28)36-28)17(3)11-19-15-37-23(14-29)30-19/h11,15-16,18,20-22,25,31,33H,7-10,12-14H2,1-6H3/b17-11+/t16-,18+,20-,21-,22-,25-,28+/m0/s1