| SpectraBase Compound ID | Gzv0cWwm8Mj |
|---|---|
| InChI | InChI=1S/C36H38O16/c1-47-27-14-20(5-12-25(27)40)6-13-29(42)48-17-36(46)18-49-35(33(36)45)52-32-31(44)30(43)28(16-37)51-34(32)50-22-8-2-19(3-9-22)4-11-24(39)23-10-7-21(38)15-26(23)41/h2-15,28,30-35,37-38,40-41,43-46H,16-18H2,1H3/b11-4+,13-6+/t28-,30-,31+,32-,33+,34-,35+,36-/m1/s1 |
| InChIKey | BYQKEKUAWGGZTQ-PMIHXJGWSA-N |
| Mol Weight | 726.7 g/mol |
| Molecular Formula | C36H38O16 |
| Exact Mass | 726.215985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmMGzHXCxzm |
|---|---|
| Name | LICORICE-GLYCOSIDE-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H38O16 |
| InChI | InChI=1S/C36H38O16/c1-47-27-14-20(5-12-25(27)40)6-13-29(42)48-17-36(46)18-49-35(33(36)45)52-32-31(44)30(43)28(16-37)51-34(32)50-22-8-2-19(3-9-22)4-11-24(39)23-10-7-21(38)15-26(23)41/h2-15,28,30-35,37-38,40-41,43-46H,16-18H2,1H3/b11-4+,13-6+/t28-,30-,31+,32-,33+,34-,35+,36-/m1/s1 |
| InChIKey | BYQKEKUAWGGZTQ-PMIHXJGWSA-N |
| Literature Reference Author | T.HATANO,M.TAKAGI,H.ITO,T.YOSHIDA |
| Literature Reference Citation | PHYTOCHEM.,47,287(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00560-8 |
| Molecular Weight | 726.688 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMS93 |