(7S,9S)-7-[(2S,4S,5S,6R)-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-[(2S,4S,5S,6R)-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-[(2S,4S,5S,6R)-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-[[(2S,4S,5S,6R)-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-[(2S,4S,5S,6R)-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-[(2S,4S,5S,6R)-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: C27H25F3O12 MolecularWeight: 598.47541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5CC(C(C(O5)C(F)(F)F)O)O)(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]5C[C@@H]([C@@H]([C@@H](O5)C(F)(F)F)O)O)(C(=O)CO)O)O

InChI

InChI=1S/C27H25F3O12/c1-40-12-4-2-3-9-16(12)23(37)19-18(20(9)34)21(35)10-6-26(39,14(33)8-31)7-13(17(10)24(19)38)41-15-5-11(32)22(36)25(42-15)27(28,29)30/h2-4,11,13,15,22,25,31-32,35-36,38-39H,5-8H2,1H3/t11-,13-,15-,22-,25+,26-/m0/s1