(E,Z)-O-2-deoxy-2-((1-oxo-2,9-hexadecadienyl)amino)-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-D-Glucose 6-(hydrogen sulfate)
[CAS# 128269-59-0]

Identification

• Name: (E,Z)-O-2-deoxy-2-((1-oxo-2,9-hexadecadienyl)amino)-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-D-Glucose 6-(hydrogen sulfate)
• Synonyms: [(2R,3S,4R,5R)-5-Acetamido-3-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-[[(2E,9Z)-Hexadeca-2,9-Dienoyl]Amino]-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2,4-Dihydroxy-6-Oxo-Hexyl] Hydrogen Sulfate; [(2R,3S,4R,5R)-5-Acetamido-3-[[(2S,3R,4R,5S,6R)-3-Acetamido-5-[[(2S,3R,4R,5S,6R)-3-Acetamido-5-[[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(2E,9Z)-1-Oxohexadeca-2,9-Dienyl]Amino]-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2,4-Dihydroxy-6-Oxohexyl] Hydrogen Sulfate; [(2R,3S,4R,5R)-5-Acetamido-3-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-[[(2E,9Z)-Hexadeca-2,9-Dienoyl]Amino]-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2,4-Dihydroxy-6-Keto-Hexyl] Hydrogen Sulfate
• Molecular Formula: C₄₆H₇₈N₄O₂₄S
• Molecular Weight: 1103.19
• CAS Registry Number: 128269-59-0
• SMILES: [C@H]3(O[C@@H]2O[C@@H]([C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)\C=C\CCCCC\C=C/CCCCCC)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)C=O)[C@H](O)CO[S](=O)(=O)O
• InChI: 1S/C46H78N4O24S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(59)50-33-38(62)37(61)29(20-52)69-44(33)73-42-31(22-54)71-46(35(40(42)64)49-26(4)57)74-43-30(21-53)70-45(34(39(43)63)48-25(3)56)72-41(28(58)23-68-75(65,66)67)36(60)27(19-51)47-24(2)55/h10-11,17-19,27-31,33-46,52-54,58,60-64H,5-9,12-16,20-23H2,1-4H3,(H,47,55)(H,48,56)(H,49,57)(H,50,59)(H,65,66,67)/b11-10-,18-17+/t27-,28+,29+,30+,31+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-/m0/s1
• InChIKey: WNHQHAHAQJGIHG-RVAZZQNRSA-N

Properties

• Density: 1.448g/cm³ (Cal.)