![#16;2-[(6'''-DEOXY-1'''-O-METHYL-ALPHA-D-MANNOPYRANOS-6'''-YL)-CARBAMOYL]-ETHYL-6-DEOXY-6-N-[(ALPHA-D-MANNOPYRANOSYL)-THIOCARBAMOYL]-N-[2-[(6''-DEOXY-1''-O-M](/api/spectrum/DshoZCHm8Db/structure.png?h=300&w=458 "#16;2-[(6'''-DEOXY-1'''-O-METHYL-ALPHA-D-MANNOPYRANOS-6'''-YL)-CARBAMOYL]-ETHYL-6-DEOXY-6-N-[(ALPHA-D-MANNOPYRANOSYL)-THIOCARBAMOYL]-N-[2-[(6''-DEOXY-1''-O-M")
| SpectraBase Compound ID | GN6O4Gci7pJ |
|---|---|
| InChI | InChI=1S/C32H56N4O22S/c1-52-29-23(48)18(43)14(39)10(56-29)7-34-13(38)3-5-36(32(59)35-28-22(47)17(42)16(41)12(9-37)55-28)8-11-15(40)19(44)25(50)31(57-11)54-6-4-33-27(51)26-21(46)20(45)24(49)30(53-2)58-26/h10-12,14-26,28-31,37,39-50H,3-9H2,1-2H3,(H,33,51)(H,34,38)(H,35,59)/t10-,11+,12+,14-,15+,16+,17-,18+,19-,20-,21-,22-,23+,24-,25-,26-,28-,29+,30-,31-/m0/s1 |
| InChIKey | XEKQVCKFTJVGPJ-DLRPHBKTSA-N |
| Mol Weight | 880.9 g/mol |
| Molecular Formula | C32H56N4O22S |
| Exact Mass | 880.310691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DshoZCHm8Db |
|---|---|
| Name | #16;2-[(6'''-DEOXY-1'''-O-METHYL-ALPHA-D-MANNOPYRANOS-6'''-YL)-CARBAMOYL]-ETHYL-6-DEOXY-6-N-[(ALPHA-D-MANNOPYRANOSYL)-THIOCARBAMOYL]-N-[2-[(6''-DEOXY-1''-O-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H56N4O22S |
| InChI | InChI=1S/C32H56N4O22S/c1-52-29-23(48)18(43)14(39)10(56-29)7-34-13(38)3-5-36(32(59)35-28-22(47)17(42)16(41)12(9-37)55-28)8-11-15(40)19(44)25(50)31(57-11)54-6-4-33-27(51)26-21(46)20(45)24(49)30(53-2)58-26/h10-12,14-26,28-31,37,39-50H,3-9H2,1-2H3,(H,33,51)(H,34,38)(H,35,59)/t10-,11+,12+,14-,15+,16+,17-,18+,19-,20-,21-,22-,23+,24-,25-,26-,28-,29+,30-,31-/m0/s1 |
| InChIKey | XEKQVCKFTJVGPJ-DLRPHBKTSA-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 | 880.870 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU26657 |