| SpectraBase Compound ID | DF7KnOV0jK1 |
|---|---|
| InChI | InChI=1S/C33H48O17/c1-10-33(9,40)13-11-12-17(2)14-42-32-30(48-23(8)39)28(46-21(6)37)26(44-19(4)35)25(50-32)16-43-31-29(47-22(7)38)27(45-20(5)36)24(49-31)15-41-18(3)34/h10,12,24-32,40H,1,11,13-16H2,2-9H3/b17-12+/t24?,25-,26-,27?,28+,29?,30-,31?,32+,33?/m1/s1 |
| InChIKey | ONMWCNGDQFQMQL-YHIUMWTPSA-N |
| Mol Weight | 716.7 g/mol |
| Molecular Formula | C33H48O17 |
| Exact Mass | 716.28915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HCxgwsvTQK |
|---|---|
| Name | (E)-2,6-Dimethyl-2,7-octadiene-1,6-diol, 1-(6-o-.alpha.-arabinofuranosyl-.beta.-D-glucopyranosyl hexaacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 716.289150069 u |
| Formula | C33H48O17 |
| InChI | InChI=1S/C33H48O17/c1-10-33(9,40)13-11-12-17(2)14-42-32-30(48-23(8)39)28(46-21(6)37)26(44-19(4)35)25(50-32)16-43-31-29(47-22(7)38)27(45-20(5)36)24(49-31)15-41-18(3)34/h10,12,24-32,40H,1,11,13-16H2,2-9H3/b17-12+/t24?,25-,26-,27?,28+,29?,30-,31?,32+,33?/m1/s1 |
| InChIKey | ONMWCNGDQFQMQL-YHIUMWTPSA-N |
| Molecular Weight | 716.730 g/mol |
| SMILES | CC(=O)O[C@@]1([C@@](OC(C)=O)([C@](OC(C)=O)([C@](O[C@@]1(OC\C(C)=C\CCC(O)(C)C=C)[H])(COC1C(OC(=O)C)C(OC(C)=O)C(COC(=O)C)O1)[H])[H])[H])[H] |