3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(5E,8E,11E,14E)-5,8,11,14-icosatetraenoylamino]hexopyranoside
[CAS# 86589-37-9]

Identification

• Name: 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(5E,8E,11E,14E)-5,8,11,14-icosatetraenoylamino]hexopyranoside
• Synonyms: Daunomycin-arachidonic acid complex; DM-C20-4
• Molecular Formula: C₄₇H₅₉NO₁₁
• Molecular Weight: 813.97
• CAS Registry Number: 86589-37-9
• SMILES: O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC5OC4OC(C(O)C(NC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)C4)C
• InChI: 1S/C47H59NO11/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-36(50)48-33-26-37(58-29(2)42(33)51)59-35-28-47(56,30(3)49)27-32-39(35)46(55)41-40(44(32)53)43(52)31-23-22-24-34(57-4)38(31)45(41)54/h9-10,12-13,15-16,18-19,22-24,29,33,35,37,42,51,53,55-56H,5-8,11,14,17,20-21,25-28H2,1-4H3,(H,48,50)/b10-9+,13-12+,16-15+,19-18+
• InChIKey: QKVUFHJNZOXIHG-WFYBHXQRSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 966.278°C at 760 mmHg (Cal.)
• Flash point: 538.186°C (Cal.)