7-[[4,10-dimethyl-2-(2-oxidanylpropyl)-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-9-ethanoyl-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: 7-[[4,10-dimethyl-2-(2-oxidanylpropyl)-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-9-ethanoyl-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: 9-acetyl-4,6,9,11-tetrahydroxy-7-[[2-(2-hydroxypropyl)-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: 9-acetyl-4,6,9,11-tetrahydroxy-7-[[2-(2-hydroxypropyl)-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: 9-acetyl-4,6,9,11-tetrahydroxy-7-[[2-(2-hydroxypropyl)-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: 9-acetyl-4,6,9,11-tetrahydroxy-7-[[2-(2-hydroxypropyl)-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C33H39NO12 MolecularWeight: 641.66226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2CC(OC(C2OC(O1)CC(C)O)C)OC3CC(CC4=C(C5=C(C(=C34)O)C(=O)C6=C(C5=O)C=CC=C6O)O)(C(=O)C)O

Isomeric SMILES

CC1CNC2CC(OC(C2OC(O1)CC(C)O)C)OC3CC(CC4=C(C5=C(C(=C34)O)C(=O)C6=C(C5=O)C=CC=C6O)O)(C(=O)C)O

InChI

InChI=1S/C33H39NO12/c1-13(35)8-22-43-14(2)12-34-19-9-23(44-15(3)32(19)46-22)45-21-11-33(42,16(4)36)10-18-25(21)31(41)27-26(29(18)39)28(38)17-6-5-7-20(37)24(17)30(27)40/h5-7,13-15,19,21-23,32,34-35,37,39,41-42H,8-12H2,1-4H3