Methyl 7,9-diacetoxy-4-({4-O-[3-O-acetyl-2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosyl]-2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl}oxy)-2-ethyl-2,5-dihydroxy-6,11-dioxo-1,2, 3,4,6,11-hexahydro-1-tetracenecarboxylate
[CAS# 86651-71-0]

Identification

• Name: Methyl 7,9-diacetoxy-4-({4-O-[3-O-acetyl-2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosyl]-2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl}oxy)-2-ethyl-2,5-dihydroxy-6,11-dioxo-1,2, 3,4,6,11-hexahydro-1-tetracenecarboxylate
• Synonyms: 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A
• Molecular Formula: C₄₈H₅₉NO₁₉
• Molecular Weight: 953.98
• CAS Registry Number: 86651-71-0
• SMILES: O=C2c1cc7c(c(O)c1C(=O)c3c2cc(OC(=O)C)cc3OC(=O)C)C(OC6OC(C(OC5OC(C(OC4OC(C(=O)CC4)C)C(OC(=O)C)C5)C)C(N(C)C)C6)C)CC(O)(CC)C7C(=O)OC
• InChI: 1S/C48H59NO19/c1-11-48(58)19-34(38-27(41(48)47(57)59-10)16-29-40(43(38)55)44(56)39-28(42(29)54)14-26(63-23(5)50)15-32(39)64-24(6)51)66-36-17-30(49(8)9)45(21(3)61-36)68-37-18-33(65-25(7)52)46(22(4)62-37)67-35-13-12-31(53)20(2)60-35/h14-16,20-22,30,33-37,41,45-46,55,58H,11-13,17-19H2,1-10H3
• InChIKey: ZEVIWPSTKROFBE-UHFFFAOYSA-N

Properties

• Density: 1.406g/cm³ (Cal.)
• Boiling point: 967.555°C at 760 mmHg (Cal.)
• Flash point: 538.958°C (Cal.)