Aureophacin
[CAS# 39390-53-9]

Identification

• Name: Aureophacin
• Synonyms: 2-[[(23E,25E,27E,29Z,31Z,33E,35E)-22-[(3S,4R,5S,6R)-4-Amino-5-Hydroxy-3,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-4,8,10,12,14,18,20-Heptahydroxy-38-[4-Hydroxy-1-Methyl-6-(4-Methylaminophenyl)-6-Oxo-Hexyl]-37-Methyl-2,6,16-Trioxo-1-Oxacyclooctatriaconta-23,25,27,29,31,33,35-Heptaene-19-Carbonyl]Amino]Acetic Acid; 2-[[[(23E,25E,27E,29Z,31Z,33E,35E)-22-[[(3S,4R,5S,6R)-4-Amino-5-Hydroxy-3,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-4,8,10,12,14,18,20-Heptahydroxy-38-[4-Hydroxy-1-Methyl-6-(4-Methylaminophenyl)-6-Oxohexyl]-37-Methyl-2,6,16-Trioxo-1-Oxacyclooctatriaconta-23,25,27,29,31,33,35-Heptaen-19-Yl]-Oxomethyl]Amino]Acetic Acid; 2-[[(23E,25E,27E,29Z,31Z,33E,35E)-22-[(3S,4R,5S,6R)-4-Amino-5-Hydroxy-3,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-4,8,10,12,14,18,20-Heptahydroxy-38-[4-Hydroxy-6-Keto-1-Methyl-6-(4-Methylaminophenyl)Hexyl]-2,6,16-Triketo-37-Methyl-1-Oxacyclooctatriaconta-23,25,27,29,31,33,35-Heptaene-19-Carbonyl]Amino]Acetic Acid
• Molecular Formula: C₆₂H₉₁N₃O₁₉
• Molecular Weight: 1182.41
• CAS Registry Number: 39390-53-9
• SMILES: [C@H]1(C(O[C@@H]([C@@H](O)[C@@H]1N)C)OC\3CC(O)C(C(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(OC(C(CCC(O)CC(=O)C2=CC=C(NC)C=C2)C)C(/C=C/C=C/C=C\C=C/C=C/C=C/C=C3)C)=O)C(=O)NCC(=O)O)C
• InChI: 1S/C62H91N3O19/c1-37-18-16-14-12-10-8-6-7-9-11-13-15-17-19-51(83-62-39(3)58(63)59(80)40(4)82-62)35-54(76)57(61(81)65-36-55(77)78)53(75)33-49(72)30-47(70)28-45(68)26-44(67)27-46(69)29-48(71)31-50(73)34-56(79)84-60(37)38(2)20-25-43(66)32-52(74)41-21-23-42(64-5)24-22-41/h6-19,21-24,37-40,43-47,50-51,53-54,57-60,62,64,66-70,73,75-76,80H,20,25-36,63H2,1-5H3,(H,65,81)(H,77,78)/b7-6-,10-8-,11-9+,14-12+,15-13+,18-16+,19-17+/t37?,38?,39-,40+,43?,44?,45?,46?,47?,50?,51?,53?,54?,57?,58+,59+,60?,62?/m0/s1
• InChIKey: MULIUBVVBQAVND-NQAACZLJSA-N