| SpectraBase Compound ID | KiawH2AT1Pd |
|---|---|
| InChI | InChI=1S/C28H50N2O14/c1-28(2,3)44-27(39)29-13-15-19(33)22(36)23(37)24(42-15)25(38)30-18-21(35)20(34)16(14-31)43-26(18)41-12-10-8-6-5-7-9-11-17(32)40-4/h15-16,18-24,26,31,33-37H,5-14H2,1-4H3,(H,29,39)(H,30,38)/t15-,16+,18+,19-,20+,21+,22+,23+,24-,26+/m0/s1 |
| InChIKey | UVWLGNMHZQQSAQ-VUCFXEESSA-N |
| Mol Weight | 638.7 g/mol |
| Molecular Formula | C28H50N2O14 |
| Exact Mass | 638.326204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AXQdexQuLkw |
|---|---|
| Name | 8-METHOXYCARBONYLOCTYL-2-DEOXY-2-(1-DEOXY-1-TERT.-BUTOXYCARBONYLAMINOMETHYL-BETA-D-GALACTOHEXOPYRANOSYLURONAMIDE)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4K |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H50N2O14 |
| InChI | InChI=1S/C28H50N2O14/c1-28(2,3)44-27(39)29-13-15-19(33)22(36)23(37)24(42-15)25(38)30-18-21(35)20(34)16(14-31)43-26(18)41-12-10-8-6-5-7-9-11-17(32)40-4/h15-16,18-24,26,31,33-37H,5-14H2,1-4H3,(H,29,39)(H,30,38)/t15-,16+,18+,19-,20+,21+,22+,23+,24-,26+/m0/s1 |
| InChIKey | UVWLGNMHZQQSAQ-VUCFXEESSA-N |
| Literature Reference Author | O.SCHWARDT,G.BAISCH,R.OEHRLEIN |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,1857(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(01)00086-4 |
| Molecular Weight | 638.710 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS21988 |