(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: (7S,9R,10R)-10-[[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyl-2-oxanyl]oxy]-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C28H33NO10 MolecularWeight: 543.56232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2=C(C1OC3CC(C(C(O3)C)O)N(C)C)C(=C4C(=C2)C(=O)C5=C(C=CC(=C5C4=O)O)O)O)O)O

Isomeric SMILES

CC[C@]1(C[C@@H](C2=C([C@H]1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O)N(C)C)C(=C4C(=C2)C(=O)C5=C(C=CC(=C5C4=O)O)O)O)O)O

InChI

InChI=1S/C28H33NO10/c1-5-28(37)10-17(32)12-8-13-19(26(36)22-16(31)7-6-15(30)21(22)24(13)34)25(35)20(12)27(28)39-18-9-14(29(3)4)23(33)11(2)38-18/h6-8,11,14,17-18,23,27,30-33,35,37H,5,9-10H2,1-4H3/t11-,14-,17-,18-,23+,27+,28+/m0/s1