Efrotomycin
[CAS# 56592-32-6]

Identification

• Name: Efrotomycin
• Synonyms: 2-[2,3-Dihydroxy-4-[3-Hydroxy-5-(4-Hydroxy-3,5-Dimethoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-5,5-Dimethyl-6-[(1E,3E)-Penta-1,3-Dienyl]Tetrahydropyran-2-Yl]-N-[(2E,4E)-7-[3,4-Dihydroxy-5-[(1E,3E,5E)-7-(2-Hydroxy-1-Methyl-4-Oxo-3-Pyridyl)-6-Methyl-7-Oxo-Hepta-1,3,5-Trienyl]Tetrahydrofuran-2-Yl]-6-Methoxy-5-Methyl-Octa-2,4-Dienyl]Butanamide; 2-[2,3-Dihydroxy-4-[[3-Hydroxy-5-[(4-Hydroxy-3,5-Dimethoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-5,5-Dimethyl-6-[(1E,3E)-Penta-1,3-Dienyl]-2-Tetrahydropyranyl]-N-[(2E,4E)-7-[3,4-Dihydroxy-5-[(1E,3E,5E)-7-(2-Hydroxy-1-Methyl-4-Oxo-3-Pyridyl)-6-Methyl-7-Oxohepta-1,3,5-Trienyl]-2-Tetrahydrofuranyl]-6-Methoxy-5-Methylocta-2,4-Dienyl]Butanamide; 2-[2,3-Dihydroxy-4-[3-Hydroxy-5-(4-Hydroxy-3,5-Dimethoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-5,5-Dimethyl-6-[(1E,3E)-Penta-1,3-Dienyl]Tetrahydropyran-2-Yl]-N-[(2E,4E)-7-[3,4-Dihydroxy-5-[(1E,3E,5E)-7-(2-Hydroxy-4-Keto-1-Methyl-3-Pyridyl)-7-Keto-6-Methyl-Hepta-1,3,5-Trienyl]Tetrahydrofuran-2-Yl]-6-Methoxy-5-Methyl-Octa-2,4-Dienyl]Butyramide
• Molecular Formula: C₅₉H₈₈N₂O₂₀
• Molecular Weight: 1145.35
• CAS Registry Number: 56592-32-6
• SMILES: C(C(C3(OC(C(C(OC2OC(C(OC1OC(C(OC)C(O)C1OC)C)C(OC)C2O)C)C3O)(C)C)\C=C\C=C\C)O)C(=O)NC\C=C\C=C(C(OC)C(C4OC(C(O)C4O)\C=C\C=C\C=C(/C)C(=O)C5=C(O)N(C=CC5=O)C)C)/C)C
• InChI: 1S/C59H88N2O20/c1-15-17-19-27-39-58(8,9)53(80-56-45(67)50(74-13)49(35(7)76-56)79-57-51(75-14)44(66)48(73-12)34(6)77-57)52(68)59(71,81-39)36(16-2)54(69)60-29-23-22-25-32(4)46(72-11)33(5)47-43(65)42(64)38(78-47)26-21-18-20-24-31(3)41(63)40-37(62)28-30-61(10)55(40)70/h15,17-28,30,33-36,38-39,42-53,56-57,64-68,70-71H,16,29H2,1-14H3,(H,60,69)/b17-15+,20-18+,23-22+,26-21+,27-19+,31-24+,32-25+
• InChIKey: UKJUBQQKUQHKQI-OUYMVFBDSA-N

Properties

• Density: 1.296g/cm³ (Cal.)
• Boiling point: 1122.541°C at 760 mmHg (Cal.)
• Flash point: 632.69°C (Cal.)