Vineomycine A1
[CAS# 78164-00-8]

Identification

• Name: Vineomycine A1
• Synonyms: (3R,4Ar,12Bs)-4A,8,12B-Trihydroxy-9-[(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]-3-Methyl-3-[(2S,5S,6S)-6-Methyl-5-[[(2R,6S)-6-Methyl-5-Oxo-2H-Pyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-2,4-Dihydrobenzo[A]Anthracene-1,7,12-Trione; (3R,4Ar,12Bs)-4A,8,12B-Trihydroxy-9-[(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]-3-Methyl-3-[[(2S,5S,6S)-6-Methyl-5-[[(2R,6S)-6-Methyl-5-Oxo-2H-Pyran-2-Yl]Oxy]-2-Tetrahydropyranyl]Oxy]-2,4-Dihydrobenzo[A]Anthracene-1,7,12-Trione; (3R,4Ar,12Bs)-4A,8,12B-Trihydroxy-9-[(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]-3-[(2S,5S,6S)-5-[[(2R,6S)-5-Keto-6-Methyl-2H-Pyran-2-Yl]Oxy]-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3-Methyl-2,4-Dihydrobenzo[A]Anthracene-1,7,12-Trione
• Molecular Formula: C₄₉H₅₈O₁₈
• Molecular Weight: 934.99
• CAS Registry Number: 78164-00-8
• SMILES: [C@@]34(O)[C@@](O)(C[C@@](O[C@@H]2O[C@H]([C@@H](O[C@@H]1O[C@H](C(=O)C=C1)C)CC2)C)(CC3=O)C)C=CC5=C4C(=O)C6=C(C5=O)C(=C(C=C6)[C@@H]9O[C@@H]([C@@H](O[C@@H]8O[C@H]([C@@H](O[C@@H]7O[C@H](C(=O)C=C7)C)CC8)C)[C@H](O)C9)C)O
• InChI: 1S/C49H58O18/c1-22-30(50)9-13-37(60-22)64-33-11-15-39(62-24(33)3)66-46-26(5)59-35(19-32(46)52)27-7-8-28-41(43(27)54)44(55)29-17-18-48(57)21-47(6,20-36(53)49(48,58)42(29)45(28)56)67-40-16-12-34(25(4)63-40)65-38-14-10-31(51)23(2)61-38/h7-10,13-14,17-18,22-26,32-35,37-40,46,52,54,57-58H,11-12,15-16,19-21H2,1-6H3/t22-,23-,24-,25-,26+,32+,33-,34-,35+,37-,38-,39-,40-,46+,47-,48-,49-/m0/s1
• InChIKey: YHSTYYHRDFATAQ-XURVNGJNSA-N

Properties

• Density: 1.456g/cm³ (Cal.)