| SpectraBase Compound ID | 3ToYYYGZ3FE |
|---|---|
| InChI | InChI=1S/C21H36ClNO14/c1-6-12(27)14(29)16(31)20(33-6)37-18-11(23-7(2)26)19(32-3)35-9(5-25)17(18)36-21-15(30)13(28)10(22)8(4-24)34-21/h6,8-21,24-25,27-31H,4-5H2,1-3H3,(H,23,26)/t6-,8-,9-,10+,11-,12+,13+,14+,15-,16-,17-,18-,19-,20-,21+/m1/s1 |
| InChIKey | HTGFVLHXIHYVMP-WSJHSCCVSA-N |
| Mol Weight | 562.0 g/mol |
| Molecular Formula | C21H36ClNO14 |
| Exact Mass | 561.182433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9aCbxQCGuiV |
|---|---|
| Name | METHYL-2-ACETAMIDO-2-DEOXY-4-O-(4-CHLORO-4-DEOXY-BETA-D-GALACTOPYRANOSYL)-3-O-(ALPHA-L-FUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36ClNO14 |
| InChI | InChI=1S/C21H36ClNO14/c1-6-12(27)14(29)16(31)20(33-6)37-18-11(23-7(2)26)19(32-3)35-9(5-25)17(18)36-21-15(30)13(28)10(22)8(4-24)34-21/h6,8-21,24-25,27-31H,4-5H2,1-3H3,(H,23,26)/t6-,8-,9-,10+,11-,12+,13+,14+,15-,16-,17-,18-,19-,20-,21+/m1/s1 |
| InChIKey | HTGFVLHXIHYVMP-WSJHSCCVSA-N |
| Literature Reference Author | C.J.MOORE,F.I.AUZANNEAU |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,1134(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.126 |
| Molecular Weight | 561.968 g/mol |
| Solvent | D2O |
| Source File Reference | UWIR10933 |