Methyl 7-acetoxy-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-2,5,9-trihydroxy-6,11-dioxo-1,2,3 ,4,6,11-hexahydro-1-tetracenecarboxylate
[CAS# 86651-72-1]

Identification

• Name: Methyl 7-acetoxy-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-2,5,9-trihydroxy-6,11-dioxo-1,2,3 ,4,6,11-hexahydro-1-tetracenecarboxylate
• Synonyms: 4,3''-Di-O-acetyl-2-hydroxyaclacinomycin A
• Molecular Formula: C₄₆H₅₇NO₁₈
• Molecular Weight: 911.94
• CAS Registry Number: 86651-72-1
• SMILES: O=C2c1cc7c(c(O)c1C(=O)c3c2cc(O)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/C46H57NO18/c1-10-46(56)18-32(36-25(39(46)45(55)57-9)15-27-38(41(36)53)42(54)37-26(40(27)52)13-24(50)14-30(37)61-22(5)48)63-34-16-28(47(7)8)43(20(3)59-34)65-35-17-31(62-23(6)49)44(21(4)60-35)64-33-12-11-29(51)19(2)58-33/h13-15,19-21,28,31-35,39,43-44,50,53,56H,10-12,16-18H2,1-9H3
• InChIKey: DETQXNVJJXDPOZ-UHFFFAOYSA-N

Properties

• Density: 1.422g/cm³ (Cal.)
• Boiling point: 941.669°C at 760 mmHg (Cal.)
• Flash point: 523.303°C (Cal.)