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

Systemtic Name: (7R,8S,9S)-7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-ethanoyl-4,8-dimethoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Openeye Name: (7R,8S,9S)-9-acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4,8-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride CAS Name: (7R,8S,9S)-9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4,8-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride IUPAC Name: (7R,8S,9S)-9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4,8-dimethoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Traditional Name: (7R,8S,9S)-9-acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4,8-dimethoxy-8,10-dihydro-7H-tetracene-5,12-quinone hydrochloride Formula: C28H32ClNO11 MolecularWeight: 594.00678

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2C(C(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)OC)N)O.Cl

Isomeric SMILES

CC1C(C(CC(O1)O[C@H]2[C@@H]([C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)OC)N)O.Cl

InChI

InChI=1S/C28H31NO11.ClH/c1-10-21(31)14(29)8-16(39-10)40-26-18-13(9-28(36,11(2)30)27(26)38-4)23(33)19-20(25(18)35)24(34)17-12(22(19)32)6-5-7-15(17)37-3;/h5-7,10,14,16,21,26-27,31,33,35-36H,8-9,29H2,1-4H3;1H/t10?,14?,16?,21?,26-,27+,28-;/m1./s1