![BIS-[3-(2,3,4-TRI-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL-1-THIO-METHYLCARBONYLAMINO)-PROPYL]-N-TERT.-BUTOXYCARBONYL-AMINE](/api/spectrum/3wlWuy8ZZBl/structure.png?h=300&w=458 "BIS-[3-(2,3,4-TRI-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL-1-THIO-METHYLCARBONYLAMINO)-PROPYL]-N-TERT.-BUTOXYCARBONYL-AMINE")
| SpectraBase Compound ID | 3iQUmg9TYXc |
|---|---|
| InChI | InChI=1S/C39H61N3O18S2/c1-20-30(54-22(3)43)32(56-24(5)45)34(58-26(7)47)36(52-20)61-18-28(49)40-14-12-16-42(38(51)60-39(9,10)11)17-13-15-41-29(50)19-62-37-35(59-27(8)48)33(57-25(6)46)31(21(2)53-37)55-23(4)44/h20-21,30-37H,12-19H2,1-11H3,(H,40,49)(H,41,50)/t20-,21-,30-,31-,32+,33+,34+,35+,36-,37-/m0/s1 |
| InChIKey | CXYQHMOUBFLGRI-VTCSIPQOSA-N |
| Mol Weight | 924.0 g/mol |
| Molecular Formula | C39H61N3O18S2 |
| Exact Mass | 923.339154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wlWuy8ZZBl |
|---|---|
| Name | BIS-[3-(2,3,4-TRI-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL-1-THIO-METHYLCARBONYLAMINO)-PROPYL]-N-TERT.-BUTOXYCARBONYL-AMINE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H61N3O18S2 |
| InChI | InChI=1S/C39H61N3O18S2/c1-20-30(54-22(3)43)32(56-24(5)45)34(58-26(7)47)36(52-20)61-18-28(49)40-14-12-16-42(38(51)60-39(9,10)11)17-13-15-41-29(50)19-62-37-35(59-27(8)48)33(57-25(6)46)31(21(2)53-37)55-23(4)44/h20-21,30-37H,12-19H2,1-11H3,(H,40,49)(H,41,50)/t20-,21-,30-,31-,32+,33+,34+,35+,36-,37-/m0/s1 |
| InChIKey | CXYQHMOUBFLGRI-VTCSIPQOSA-N |
| Literature Reference Author | F.ORTEGA-CABALLERO,J.J.GIMENEZ-MARTINEZ,L.GARCIA-FUENTES,E.O RTIZ-SALMERON,F.SANT |
| Literature Reference Citation | J.ORG.CHEM.,66,7786(2001) |
| Literature Reference DOI | 10.1021/jo015875q |
| Molecular Weight | 924.043 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN25957 |