![N-[3-[2'-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHOXY]-2,2-BIS-[2'-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHOXYMETHYL]-PROPYL]-N'-(2''-AZIPROPYL)-THIOUREA](/api/spectrum/9rioBtRg3T2/structure.png?h=300&w=458 "N-[3-[2'-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHOXY]-2,2-BIS-[2'-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHOXYMETHYL]-PROPYL]-N'-(2''-AZIPROPYL)-THIOUREA")
| SpectraBase Compound ID | LBkEax5caym |
|---|---|
| InChI | InChI=1S/C33H60N4O21S/c1-32(36-37-32)11-34-31(59)35-12-33(13-50-2-5-53-28-25(47)22(44)19(41)16(8-38)56-28,14-51-3-6-54-29-26(48)23(45)20(42)17(9-39)57-29)15-52-4-7-55-30-27(49)24(46)21(43)18(10-40)58-30/h16-30,38-49H,2-15H2,1H3,(H2,34,35,59)/t16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+/m0/s1 |
| InChIKey | ODONVQXDEFCBMF-QAAYXQEYSA-N |
| Mol Weight | 880.9 g/mol |
| Molecular Formula | C33H60N4O21S |
| Exact Mass | 880.347076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rioBtRg3T2 |
|---|---|
| Name | N-[3-[2'-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHOXY]-2,2-BIS-[2'-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHOXYMETHYL]-PROPYL]-N'-(2''-AZIPROPYL)-THIOUREA |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H60N4O21S |
| InChI | InChI=1S/C33H60N4O21S/c1-32(36-37-32)11-34-31(59)35-12-33(13-50-2-5-53-28-25(47)22(44)19(41)16(8-38)56-28,14-51-3-6-54-29-26(48)23(45)20(42)17(9-39)57-29)15-52-4-7-55-30-27(49)24(46)21(43)18(10-40)58-30/h16-30,38-49H,2-15H2,1H3,(H2,34,35,59)/t16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+/m0/s1 |
| InChIKey | ODONVQXDEFCBMF-QAAYXQEYSA-N |
| Literature Reference Author | M.WALTER,M.WIEGAND,T.K.LINDHORST |
| Literature Reference Citation | EUR.J.ORG.CHEM.,719(2006) |
| Molecular Weight | 880.914 g/mol |
| Sample ID | 43201 |
| Solvent | D2O |