![2,6-DIMETHYLOCTA-2,7-DIENE-1,6-DIOL-6-O-[6'-O-BETA-D-APIOFURANOSYL]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/5Q4a8pWTPly/structure.png?h=300&w=458 "2,6-DIMETHYLOCTA-2,7-DIENE-1,6-DIOL-6-O-[6'-O-BETA-D-APIOFURANOSYL]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 64bNyz4zFjU |
|---|---|
| InChI | InChI=1S/C21H36O11/c1-4-20(3,7-5-6-12(2)8-22)32-18-16(26)15(25)14(24)13(31-18)9-29-19-17(27)21(28,10-23)11-30-19/h4,6,13-19,22-28H,1,5,7-11H2,2-3H3/b12-6-/t13-,14-,15+,16-,17-,18+,19+,20-,21+/m0/s1 |
| InChIKey | AERYFVMMYBNMCL-LVSARNEVSA-N |
| Mol Weight | 464.5 g/mol |
| Molecular Formula | C21H36O11 |
| Exact Mass | 464.225762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Q4a8pWTPly |
|---|---|
| Name | 2,6-DIMETHYLOCTA-2,7-DIENE-1,6-DIOL-6-O-[6'-O-BETA-D-APIOFURANOSYL]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O11 |
| InChI | InChI=1S/C21H36O11/c1-4-20(3,7-5-6-12(2)8-22)32-18-16(26)15(25)14(24)13(31-18)9-29-19-17(27)21(28,10-23)11-30-19/h4,6,13-19,22-28H,1,5,7-11H2,2-3H3/b12-6-/t13-,14-,15+,16-,17-,18+,19+,20-,21+/m0/s1 |
| InChIKey | AERYFVMMYBNMCL-LVSARNEVSA-N |
| Literature Reference Author | D.DELIORMAN,I.CALIS,F.ERGUN |
| Literature Reference Citation | FITOTERAPIA,72,101(2001) |
| Literature Reference DOI | 10.1016/S0367-326X(00)00260-4 |
| Molecular Weight | 464.510 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN3930 |