Vineomycin B2
[CAS# 80928-52-5]

Identification

• Name: Vineomycin B2
• Synonyms: (3R)-4-[1,5-Dihydroxy-6-[(2R,4R,5S,6R)-4-Hydroxy-6-Methyl-5-[(2S,5S,6S)-6-Methyl-5-[[(2R,6S)-6-Methyl-5-Oxo-2H-Pyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]-9,10-Dioxo-2-Anthryl]-3-Methyl-3-[(2S,5S,6S)-6-Methyl-5-[[(2R,6S)-6-Methyl-5-Oxo-2H-Pyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-Butanoic Acid; (3R)-4-[1,5-Dihydroxy-6-[(2R,4R,5S,6R)-4-Hydroxy-6-Methyl-5-[[(2S,5S,6S)-6-Methyl-5-[[(2R,6S)-6-Methyl-5-Oxo-2H-Pyran-2-Yl]Oxy]-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]-9,10-Dioxo-2-Anthryl]-3-Methyl-3-[[(2S,5S,6S)-6-Methyl-5-[[(2R,6S)-6-Methyl-5-Oxo-2H-Pyran-2-Yl]Oxy]-2-Tetrahydropyranyl]Oxy]Butanoic Acid; (3R)-4-[1,5-Dihydroxy-6-[(2R,4R,5S,6R)-4-Hydroxy-5-[(2S,5S,6S)-5-[[(2R,6S)-5-Keto-6-Methyl-2H-Pyran-2-Yl]Oxy]-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]-9,10-Diketo-2-Anthryl]-3-[(2S,5S,6S)-5-[[(2R,6S)-5-Keto-6-Methyl-2H-Pyran-2-Yl]Oxy]-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3-Methyl-Butyric Acid
• Molecular Formula: C₄₉H₅₈O₁₈
• Molecular Weight: 934.99
• CAS Registry Number: 80928-52-5
• SMILES: [C@H]3(O[C@@H]([C@@H](O[C@@H]2O[C@H]([C@@H](O[C@@H]1O[C@H](C(=O)C=C1)C)CC2)C)[C@H](O)C3)C)C8=C(O)C5=C(C(=O)C4=C(O)C(=CC=C4C5=O)C[C@@](O[C@@H]7O[C@H]([C@@H](O[C@@H]6O[C@H](C(=O)C=C6)C)CC7)C)(CC(=O)O)C)C=C8
• InChI: 1S/C49H58O18/c1-22-31(50)11-15-38(60-22)64-34-13-17-40(62-24(34)3)66-48-26(5)59-36(19-33(48)52)28-9-10-30-43(45(28)56)47(58)29-8-7-27(44(55)42(29)46(30)57)20-49(6,21-37(53)54)67-41-18-14-35(25(4)63-41)65-39-16-12-32(51)23(2)61-39/h7-12,15-16,22-26,33-36,38-41,48,52,55-56H,13-14,17-21H2,1-6H3,(H,53,54)/t22-,23-,24-,25-,26+,33+,34-,35-,36+,38-,39-,40-,41-,48+,49+/m0/s1
• InChIKey: NIXHEPPGVVKFMQ-SVDKGFTASA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Boiling point: 1033.128°C at 760 mmHg (Cal.)
• Flash point: 298.732°C (Cal.)