Methyl 4-({4-(dimethylamino)-5-[(2,9-dimethyl-3-oxooctahydro-2H,5aH-dipyrano[2,3-b:4',3'-e][1,4]dioxin-7-yl)oxy]-6-methyltetrahydro-2H-pyran-2-yl}oxy)-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-1,2,3,4,6 ,11-hexahydro-1-tetracenecarboxylate
[CAS# 85819-82-5]

Identification

• Name: Methyl 4-({4-(dimethylamino)-5-[(2,9-dimethyl-3-oxooctahydro-2H,5aH-dipyrano[2,3-b:4',3'-e][1,4]dioxin-7-yl)oxy]-6-methyltetrahydro-2H-pyran-2-yl}oxy)-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-1,2,3,4,6 ,11-hexahydro-1-tetracenecarboxylate
• Synonyms: 2HO-Acm-B; 2-Hydroxyaclacinomycin B
• Molecular Formula: C₄₂H₅₁NO₁₆
• Molecular Weight: 825.85
• CAS Registry Number: 85819-82-5
• SMILES: O=C2c1cc8c(c(O)c1C(=O)c3c2cc(O)cc3O)C(OC7OC(C)C(OC4OC(C)C5OC6OC(C(=O)CC6OC5C4)C)C(N(C)C)C7)CC(O)(CC)C8C(=O)OC
• InChI: 1S/C42H51NO16/c1-8-42(51)15-28(32-20(34(42)40(50)52-7)11-22-33(37(32)49)36(48)31-21(35(22)47)9-19(44)10-25(31)46)57-29-12-23(43(5)6)38(17(3)53-29)58-30-14-26-39(18(4)54-30)59-41-27(56-26)13-24(45)16(2)55-41/h9-11,16-18,23,26-30,34,38-39,41,44,46,49,51H,8,12-15H2,1-7H3
• InChIKey: YKOJDLMFXPQKSN-UHFFFAOYSA-N

Properties

• Density: 1.483g/cm³ (Cal.)
• Boiling point: 917.867°C at 760 mmHg (Cal.)
• Flash point: 508.908°C (Cal.)