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

Systemtic Name: (7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-oxan-2-yl]oxy]-9-ethyl-1,4,6,9,11-pentakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: (7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy]-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: (7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-4-(dimethylamino)-5-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-hydroxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: (7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy]-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: (7S,9R,10R)-7,10-bis[[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy]-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C60H88N2O21 MolecularWeight: 1173.34152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2=C(C3=C(C(=C2C1OC4CC(C(C(O4)C)OC5CCC(C(O5)C)OC6CCC(C(O6)C)O)N(C)C)O)C(=O)C7=C(C=CC(=C7C3=O)O)O)O)OC8CC(C(C(O8)C)OC9CCC(C(O9)C)OC1CCC(C(O1)C)O)N(C)C)O

Isomeric SMILES

CC[C@]1(C[C@@H](C2=C(C3=C(C(=C2[C@H]1O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O[C@H]5CC[C@@H]([C@@H](O5)C)O[C@H]6CC[C@@H]([C@@H](O6)C)O)N(C)C)O)C(=O)C7=C(C=CC(=C7C3=O)O)O)O)O[C@H]8C[C@@H]([C@@H]([C@@H](O8)C)O[C@H]9CC[C@@H]([C@@H](O9)C)O[C@H]1CC[C@@H]([C@@H](O1)C)O)N(C)C)O

InChI

InChI=1S/C60H88N2O21/c1-12-60(71)25-40(80-45-23-32(61(8)9)57(30(6)76-45)81-43-21-17-38(28(4)74-43)78-41-19-15-34(63)26(2)72-41)49-52(56(70)51-50(55(49)69)53(67)47-36(65)13-14-37(66)48(47)54(51)68)59(60)83-46-24-33(62(10)11)58(31(7)77-46)82-44-22-18-39(29(5)75-44)79-42-20-16-35(64)27(3)73-42/h13-14,26-35,38-46,57-59,63-66,69-71H,12,15-25H2,1-11H3/t26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,38-,39-,40-,41-,42-,43-,44-,45-,46-,57+,58+,59+,60+/m0/s1