![#11;METHYL-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-2-ACETAMIDO-2-DEOXY-GLUCOPYRANOSYL-(1->2)-ALPHA-D-MANNOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->4)]-BETA-](/api/spectrum/9yJKsZn9nO2/structure.png?h=300&w=458 "#11;METHYL-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-2-ACETAMIDO-2-DEOXY-GLUCOPYRANOSYL-(1->2)-ALPHA-D-MANNOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->4)]-BETA-")
| SpectraBase Compound ID | 6XbrzbFUx0h |
|---|---|
| InChI | InChI=1S/C47H80N2O36/c1-11(56)48-20-27(63)36(81-44-33(69)29(65)22(58)13(4-50)74-44)17(8-54)78-41(20)84-39-31(67)24(60)15(6-52)76-46(39)73-10-19-26(62)38(35(71)43(72-3)80-19)83-47-40(32(68)25(61)16(7-53)77-47)85-42-21(49-12(2)57)28(64)37(18(9-55)79-42)82-45-34(70)30(66)23(59)14(5-51)75-45/h13-47,50-55,58-71H,4-10H2,1-3H3,(H,48,56)(H,49,57)/t13-,14-,15+,16+,17+,18+,19-,20+,21+,22+,23+,24+,25+,26-,27+,28+,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46-,47+/m0/s1 |
| InChIKey | GXGSIEUIMYUCDW-KWQAYDNESA-N |
| Mol Weight | 1249.1 g/mol |
| Molecular Formula | C47H80N2O36 |
| Exact Mass | 1248.449077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9yJKsZn9nO2 |
|---|---|
| Name | #11;METHYL-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-2-ACETAMIDO-2-DEOXY-GLUCOPYRANOSYL-(1->2)-ALPHA-D-MANNOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->4)]-BETA- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H80N2O36 |
| InChI | InChI=1S/C47H80N2O36/c1-11(56)48-20-27(63)36(81-44-33(69)29(65)22(58)13(4-50)74-44)17(8-54)78-41(20)84-39-31(67)24(60)15(6-52)76-46(39)73-10-19-26(62)38(35(71)43(72-3)80-19)83-47-40(32(68)25(61)16(7-53)77-47)85-42-21(49-12(2)57)28(64)37(18(9-55)79-42)82-45-34(70)30(66)23(59)14(5-51)75-45/h13-47,50-55,58-71H,4-10H2,1-3H3,(H,48,56)(H,49,57)/t13-,14-,15+,16+,17+,18+,19-,20+,21+,22+,23+,24+,25+,26-,27+,28+,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46-,47+/m0/s1 |
| InChIKey | GXGSIEUIMYUCDW-KWQAYDNESA-N |
| Literature Reference Author | A.DUEFFELS,L.G.GREEN,R.LENZ,S.V.LEY,S.P.VINCENT,C.H.WONG |
| Literature Reference Citation | BIOORG.MED.CHEM.,8,2519(2000) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00187-5 |
| Molecular Weight | 1249.144 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN20449 |