(7S,9S)-7-[(2R,4S,5S,6S)-6-methyl-4-[(4-nitrophenyl)methylamino]-5-oxidanyl-oxan-2-yl]oxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: (7S,9S)-7-[(2R,4S,5S,6S)-6-methyl-4-[(4-nitrophenyl)methylamino]-5-oxidanyl-oxan-2-yl]oxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(4-nitrophenyl)methylamino]tetrahydropyran-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: (7S,9S)-6,9,11-trihydroxy-7-[[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(4-nitrophenyl)methylamino]-2-oxanyl]oxy]-9-(2-hydroxy-1-oxoethyl)-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(4-nitrophenyl)methylamino]oxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: (7S,9S)-9-glycoloyl-6,9,11-trihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(4-nitrobenzyl)amino]tetrahydropyran-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C33H32N2O12 MolecularWeight: 648.61338

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)NCC6=CC=C(C=C6)[N+](=O)[O-])O

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)NCC6=CC=C(C=C6)[N+](=O)[O-])O

InChI

InChI=1S/C33H32N2O12/c1-15-28(38)21(34-13-16-6-8-17(9-7-16)35(44)45)10-24(46-15)47-22-12-33(43,23(37)14-36)11-20-25(22)32(42)27-26(31(20)41)29(39)18-4-2-3-5-19(18)30(27)40/h2-9,15,21-22,24,28,34,36,38,41-43H,10-14H2,1H3/t15-,21-,22-,24-,28+,33-/m0/s1