| SpectraBase Compound ID | LkSFztromLx |
|---|---|
| InChI | InChI=1S/C36H65O40P3.3C6H15N/c37-1-7-13(41)16(44)22(50)31(65-7)71-29-9(3-39)67-35(26(54)20(29)48)75-78(59,60)64-6-12-15(43)18(46)24(52)33(70-12)73-30-10(4-40)68-36(27(55)21(30)49)76-79(61,62)63-5-11-14(42)17(45)23(51)32(69-11)72-28-8(2-38)66-34(25(53)19(28)47)74-77(56,57)58;3*1-4-7(5-2)6-3/h7-55H,1-6H2,(H,59,60)(H,61,62)(H2,56,57,58);3*4-6H2,1-3H3/t7-,8-,9+,10-,11-,12-,13+,14+,15+,16+,17+,18+,19-,20+,21-,22-,23-,24-,25+,26-,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-;;;/m1.../s1 |
| InChIKey | OHCJJHGTNWNSOT-ALIQZBIESA-N |
| Mol Weight | 1534.38 g/mol |
| Molecular Formula | C54H110N3O40P3 |
| Exact Mass | 1533.587846 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4bHJti8HWm |
|---|---|
| Name | beta-D-Galactopyranosyl-(1->4)-alpha-D-mannopyranoside-[6-beta-D-galactopyranosyl-(1->4)-alpha-D-mannopyranosyl-phosphate-6-[beta-D-galactopyranosyl-(1->4)-al |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1533.587846308 u |
| Formula | C54H110N3O40P3 |
| InChI | InChI=1S/C36H65O40P3.3C6H15N/c37-1-7-13(41)16(44)22(50)31(65-7)71-29-9(3-39)67-35(26(54)20(29)48)75-78(59,60)64-6-12-15(43)18(46)24(52)33(70-12)73-30-10(4-40)68-36(27(55)21(30)49)76-79(61,62)63-5-11-14(42)17(45)23(51)32(69-11)72-28-8(2-38)66-34(25(53)19(28)47)74-77(56,57)58;3*1-4-7(5-2)6-3/h7-55H,1-6H2,(H,59,60)(H,61,62)(H2,56,57,58);3*4-6H2,1-3H3/t7-,8-,9+,10-,11-,12-,13+,14+,15+,16+,17+,18+,19-,20+,21-,22-,23-,24-,25+,26-,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-;;;/m1.../s1 |
| InChIKey | OHCJJHGTNWNSOT-ALIQZBIESA-N |
| Molecular Weight | 1534.376 g/mol |
| Nominal Mass | 1533 u |
| SMILES | C([NH+](CC)CC)C.[C@]1(O)([C@@](OP(=O)([O-])O)(O[C@@]([C@]([C@@]1(O)[H])(O[C@]1([C@](O)([C@@](O)([C@@](O)([C@](O1)(COP(=O)([O-])O[C@@]1([C@@](O)([C@@](O)([C@@]([C@](O1)(CO)[H])(O[C@]1([C@](O)([C@@](O)([C@@](O)([C@](O1)(COP(=O)([O-])O[C@]1([C@](O)([C@](O)([C@]([C@@](O1)(CO)[H])(O[C@]1([C@](O)([C@@](O)([C@@](O)([C@](O1)(CO)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])(CO)[H])[H])[H].C([NH+](CC)CC)C.C([NH+](CC)CC)C |