(7S,9S)-7-[(2R,3R,4R,5S,6R)-3-fluoranyl-4,5-bis(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: (7S,9S)-7-[(2R,3R,4R,5S,6R)-3-fluoranyl-4,5-bis(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: (7S,9S)-7-[(2R,3R,4R,5S,6R)-3-fluoro-4,5-dihydroxy-6-(trifluoromethyl)tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: (7S,9S)-7-[[(2R,3R,4R,5S,6R)-3-fluoro-4,5-dihydroxy-6-(trifluoromethyl)-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: (7S,9S)-7-[(2R,3R,4R,5S,6R)-3-fluoro-4,5-dihydroxy-6-(trifluoromethyl)oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: (7S,9S)-7-[(2R,3R,4R,5S,6R)-3-fluoro-4,5-dihydroxy-6-(trifluoromethyl)tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C27H24F4O12 MolecularWeight: 616.465873

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5C(C(C(C(O5)C(F)(F)F)O)O)F)(C(=O)CO)O)O

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4C[C@](C[C@@H](C4=C3O)O[C@H]5[C@@H]([C@@H]([C@@H]([C@@H](O5)C(F)(F)F)O)O)F)(C(=O)CO)O)O

InChI

InChI=1S/C27H24F4O12/c1-41-10-4-2-3-8-13(10)20(36)16-15(18(8)34)19(35)9-5-26(40,12(33)7-32)6-11(14(9)21(16)37)42-25-17(28)22(38)23(39)24(43-25)27(29,30)31/h2-4,11,17,22-25,32,35,37-40H,5-7H2,1H3/t11-,17+,22-,23-,24+,25+,26-/m0/s1