| SpectraBase Compound ID | 3yPS20Sjgbl |
|---|---|
| InChI | InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m0/s1 |
| InChIKey | WEKCEGQSIIQPAQ-FIRKSLEPSA-N |
| Mol Weight | 580.6 g/mol |
| Molecular Formula | C28H36O13 |
| Exact Mass | 580.215591 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | wWiMmMUwZO |
|---|---|
| Name | SYRINGARESINOL_BETA-D-GLUCOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O13 |
| InChI | InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25+,26+,28+/m0/s1 |
| InChIKey | WEKCEGQSIIQPAQ-FIRKSLEPSA-N |
| Literature Reference Author | A.A.SHAHAT,N.S.ABDEL-AZIM,L.PIETERS,A.J.VLIETINCK |
| Literature Reference Citation | FITOTERAPIA,75,771(2004) |
| Literature Reference DOI | 10.1016/j.fitote.2004.05.008 |
| Molecular Weight | 580.586 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ46799 |