| SpectraBase Compound ID | BSPmFtYRDXq |
|---|---|
| InChI | InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19-,20+,23-,25+,26-,28-/m0/s1 |
| InChIKey | PQQRNPDHSJDAGV-YHSSRSITSA-N |
| Mol Weight | 582.6 g/mol |
| Molecular Formula | C28H38O13 |
| Exact Mass | 582.231241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Vug48VLBTu |
|---|---|
| Name | LYONIRESINOL-3-ALPHA-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O13 |
| InChI | InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19-,20+,23-,25+,26-,28-/m0/s1 |
| InChIKey | PQQRNPDHSJDAGV-YHSSRSITSA-N |
| Literature Reference Author | C.STEINBECK,C.SCHNEIDER,K.ROTSCHEIDT,E.BREITMAIER |
| Literature Reference Citation | PHYTOCHEM.,40,1313(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00496-T |
| Molecular Weight | 582.602 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS2879 |