| SpectraBase Compound ID | 3z6452GDVqP |
|---|---|
| InChI | InChI=1S/C34H62O19/c1-17-21(40-6)26(51-32-28(45-11)23(42-8)19(39-5)16-48-32)29(46-12)33(49-17)53-30-25(44-10)24(43-9)27(31(35)47-13)52-34(30)50-20(15-37-3)22(41-7)18(38-4)14-36-2/h17-30,32-34H,14-16H2,1-13H3/t17?,18?,19-,20?,21?,22?,23+,24?,25?,26?,27?,28-,29?,30?,32+,33?,34?/m1/s1 |
| InChIKey | JANWYCPGVPENQZ-NJKYKUBZSA-N |
| Mol Weight | 774.9 g/mol |
| Molecular Formula | C34H62O19 |
| Exact Mass | 774.38853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESut6uLHj1M |
|---|---|
| Name | Permethyl .beta.-D-xylopyranosyl-(1-3)-.alpha.-L-rhamnopyranosyl-(1-2)-.alpha.-D-galactopyranosyluronic acid-(1-4)-D-xylitol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 774.388529757 u |
| Formula | C34H62O19 |
| InChI | InChI=1S/C34H62O19/c1-17-21(40-6)26(51-32-28(45-11)23(42-8)19(39-5)16-48-32)29(46-12)33(49-17)53-30-25(44-10)24(43-9)27(31(35)47-13)52-34(30)50-20(15-37-3)22(41-7)18(38-4)14-36-2/h17-30,32-34H,14-16H2,1-13H3/t17?,18?,19-,20?,21?,22?,23+,24?,25?,26?,27?,28-,29?,30?,32+,33?,34?/m1/s1 |
| InChIKey | JANWYCPGVPENQZ-NJKYKUBZSA-N |
| Molecular Weight | 774.851 g/mol |
| SMILES | [C@]1([C@@](CO[C@]([C@@]1(OC)[H])(OC1C(C(C)OC(C1OC)OC1C(OC(COC)C(C(COC)OC)OC)OC(C(C1OC)OC)C(=O)OC)OC)[H])(OC)[H])(OC)[H] |