| SpectraBase Compound ID | 3hTbuqd6wA |
|---|---|
| InChI | InChI=1S/C34H58N3O26P.Na/c1-11(42)36-19-27(54-13(3)44)21(46)15(7-38)56-31(19)61-30-23(48)17(9-40)58-34(25(30)50)63-64(51,52)62-26-18(10-41)59-32(20(37-12(2)43)28(26)55-14(4)45)60-29-22(47)16(8-39)57-33(24(29)49)53-6-5-35;/h15-34,38-41,46-50H,5-10,35H2,1-4H3,(H,36,42)(H,37,43)(H,51,52);/q;+1/p-1/t15-,16+,17-,18+,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-;/m0./s1 |
| InChIKey | QRJDLDASNWABJA-UMJGKIRYSA-M |
| Mol Weight | 977.8 g/mol |
| Molecular Formula | C34H57N3NaO26P |
| Exact Mass | 977.28656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5IIalWX8v6m |
|---|---|
| Name | #36;2-AMINOETHYL-2-ACETAMIDO-3-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-D-GALACTOPYRANOSYL-PHOSPHATE-(1->4)-2-ACETAMIDO-3-O-ACETYL-2-DEOXY-BE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H57N3NaO26P |
| InChI | InChI=1S/C34H58N3O26P.Na/c1-11(42)36-19-27(54-13(3)44)21(46)15(7-38)56-31(19)61-30-23(48)17(9-40)58-34(25(30)50)63-64(51,52)62-26-18(10-41)59-32(20(37-12(2)43)28(26)55-14(4)45)60-29-22(47)16(8-39)57-33(24(29)49)53-6-5-35;/h15-34,38-41,46-50H,5-10,35H2,1-4H3,(H,36,42)(H,37,43)(H,51,52);/q;+1/p-1/t15-,16+,17-,18+,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-;/m0./s1 |
| InChIKey | QRJDLDASNWABJA-UMJGKIRYSA-M |
| Literature Reference Author | J.HANSSON,P.J.GAREGG,S.OSCARSON |
| Literature Reference Citation | J.ORG.CHEM.,66,6234(2001) |
| Literature Reference DOI | 10.1021/jo001302m |
| Molecular Weight | 977.795 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN24579 |