![#13;2-TERT.-BUTYLOXYCARBONYLAMIDOETHYL-6-DEOXY-6-N-[(ALPHA-D-MANNOPYRANOSYL)-THIOCARBAMOYL]-N-[2-[(6''-DEOXY-1''-O-METHYL-ALPHA-D-MANNOPYRANOS-6''-YL)-CARB](/api/spectrum/5Da9dfqZlwC/structure.png?h=300&w=458 "#13;2-TERT.-BUTYLOXYCARBONYLAMIDOETHYL-6-DEOXY-6-N-[(ALPHA-D-MANNOPYRANOSYL)-THIOCARBAMOYL]-N-[2-[(6''-DEOXY-1''-O-METHYL-ALPHA-D-MANNOPYRANOS-6''-YL)-CARB")
| SpectraBase Compound ID | 99pUiK00Vyw |
|---|---|
| InChI | InChI=1S/C30H54N4O18S/c1-30(2,3)52-29(46)31-6-8-48-27-24(45)21(42)17(38)13(51-27)10-34(28(53)33-25-22(43)19(40)18(39)14(11-35)49-25)7-5-15(36)32-9-12-16(37)20(41)23(44)26(47-4)50-12/h12-14,16-27,35,37-45H,5-11H2,1-4H3,(H,31,46)(H,32,36)(H,33,53)/t12-,13-,14+,16-,17-,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+/m1/s1 |
| InChIKey | ZCYBGZBRWQTJJB-LKIFSFIRSA-N |
| Mol Weight | 790.8 g/mol |
| Molecular Formula | C30H54N4O18S |
| Exact Mass | 790.315382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Da9dfqZlwC |
|---|---|
| Name | #13;2-TERT.-BUTYLOXYCARBONYLAMIDOETHYL-6-DEOXY-6-N-[(ALPHA-D-MANNOPYRANOSYL)-THIOCARBAMOYL]-N-[2-[(6''-DEOXY-1''-O-METHYL-ALPHA-D-MANNOPYRANOS-6''-YL)-CARB |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H54N4O18S |
| InChI | InChI=1S/C30H54N4O18S/c1-30(2,3)52-29(46)31-6-8-48-27-24(45)21(42)17(38)13(51-27)10-34(28(53)33-25-22(43)19(40)18(39)14(11-35)49-25)7-5-15(36)32-9-12-16(37)20(41)23(44)26(47-4)50-12/h12-14,16-27,35,37-45H,5-11H2,1-4H3,(H,31,46)(H,32,36)(H,33,53)/t12-,13-,14+,16-,17-,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+/m1/s1 |
| InChIKey | ZCYBGZBRWQTJJB-LKIFSFIRSA-N |
| Literature Reference Author | A.PATEL,T.K.LINDHORST |
| Literature Reference Citation | J.ORG.CHEM.,66,2674(2001) |
| Literature Reference DOI | 10.1021/jo005671u |
| Molecular Weight | 790.835 g/mol |
| Solvent | D2O:CD3OD |
| Source File Reference | UWLU26656 |