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

Systemtic Name: 7-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-(6-methyl-5-oxidanylidene-oxan-2-yl)oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-9-ethyl-1,4,9,10,11-pentakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: 7-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-1,4,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: 7-[[4-(dimethylamino)-5-[[4-hydroxy-6-methyl-5-[(6-methyl-5-oxo-2-oxanyl)oxy]-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-9-ethyl-1,4,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: 7-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: 7-[4-(dimethylamino)-5-[4-hydroxy-5-(5-keto-6-methyl-tetrahydropyran-2-yl)oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-1,4,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C40H51NO15 MolecularWeight: 785.83064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2=C(C1O)C(=C3C(=C2)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O

Isomeric SMILES

CCC1(CC(C2=C(C1O)C(=C3C(=C2)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O

InChI

InChI=1S/C40H51NO15/c1-7-40(50)15-26(19-12-20-30(35(47)31(19)39(40)49)36(48)33-24(44)9-8-23(43)32(33)34(20)46)54-28-13-21(41(5)6)37(17(3)52-28)56-29-14-25(45)38(18(4)53-29)55-27-11-10-22(42)16(2)51-27/h8-9,12,16-18,21,25-29,37-39,43-45,47,49-50H,7,10-11,13-15H2,1-6H3