7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-ethanoyl-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: 7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-ethanoyl-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: 9-acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: 9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: 9-acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C52H54N2O20 MolecularWeight: 1026.98656

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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=C(C4=O)C=CC=C5O)O)(C(=O)C)O)N)O.CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)O)(C(=O)C)O)N)O

Isomeric SMILES

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)O)(C(=O)C)O)N)O.CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)O)(C(=O)C)O)N)O

InChI

InChI=1S/2C26H27NO10/c2*1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h2*3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3