Magnamycin
[CAS# 4564-87-8]

Identification

• Name: Magnamycin
• Synonyms: [6-[6-[[(1S,3R,7R,8S,9S,10R,12R,14E)-7-Acetoxy-8-Methoxy-3,12-Dimethyl-5,13-Dioxo-10-(2-Oxoethyl)-4,17-Dioxabicyclo[14.1.0]Heptadec-14-En-9-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyl-Tetrahydropyran-3-Yl] 3-Methylbutanoate; 3-Methylbutanoic Acid [6-[[6-[[(1S,3R,7R,8S,9S,10R,12R,14E)-7-Acetoxy-8-Methoxy-3,12-Dimethyl-5,13-Dioxo-10-(2-Oxoethyl)-4,17-Dioxabicyclo[14.1.0]Heptadec-14-En-9-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-3-Tetrahydropyranyl]Oxy]-4-Hydroxy-2,4-Dimethyl-3-Tetrahydropyranyl] Ester; 3-Methylbutyric Acid [6-[6-[[(1S,3R,7R,8S,9S,10R,12R,14E)-7-Acetoxy-5,13-Diketo-10-(2-Ketoethyl)-8-Methoxy-3,12-Dimethyl-4,17-Dioxabicyclo[14.1.0]Heptadec-14-En-9-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₄₂H₆₇NO₁₆
• Molecular Weight: 841.99
• CAS Registry Number: 4564-87-8
• SMILES: [C@H]2([C@@H]([C@@H](OC)[C@H](OC(=O)C)CC(O[C@H](C)C[C@@H]1OC1/C=C/C(=O)[C@@H](C2)C)=O)OC4C(O)C(N(C)C)C(OC3OC(C)C(C(C3)(O)C)OC(=O)CC(C)C)C(C)O4)CC=O
• InChI: 1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24?,25?,27+,29?,30+,31-,34?,35?,36?,37?,38+,39+,40?,41?,42?/m1/s1
• InChIKey: FQVHOULQCKDUCY-LMCPXSJKSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 892.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 493.4±34.3°C (Cal.)