[(2R,3R,4R,5R,6S)-2-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-fluoranyl-6-methyl-5-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-4-yl] ethanoate

Systemtic Name: [(2R,3R,4R,5R,6S)-2-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-fluoranyl-6-methyl-5-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-4-yl] ethanoate Openeye Name: [(2R,3R,4R,5R,6S)-2-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-fluoro-6-methyl-5-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2R,3R,4R,5R,6S)-2-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-fluoro-6-methyl-5-[(2,2,2-trifluoro-1-oxoethyl)amino]-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6S)-2-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-fluoro-6-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5R,6S)-2-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-fluoro-6-methyl-5-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-4-yl] ester Formula: C31H29F4NO12 MolecularWeight: 683.555073

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)F)OC(=O)C)NC(=O)C(F)(F)F

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)F)OC(=O)C)NC(=O)C(F)(F)F

InChI

InChI=1S/C31H29F4NO12/c1-10-22(36-29(43)31(33,34)35)27(47-12(3)38)21(32)28(46-10)48-16-9-30(44,11(2)37)8-14-18(16)26(42)20-19(24(14)40)23(39)13-6-5-7-15(45-4)17(13)25(20)41/h5-7,10,16,21-22,27-28,40,42,44H,8-9H2,1-4H3,(H,36,43)/t10-,16-,21+,22+,27-,28-,30-/m0/s1