| SpectraBase Compound ID | Fh6YQeOQlws |
|---|---|
| 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-/m1/s1 |
| InChIKey | PQQRNPDHSJDAGV-UGJKOEBBSA-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 | 1e2IDQgxCK4 |
|---|---|
| Name | (-)-(8S,7'R,8'R)-3-ALPHA-O-(BETA-D-GLUCOPYRANOSYL)-LIONIRESINOL |
| Compound Number | 10 |
| 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-/m1/s1 |
| InChIKey | PQQRNPDHSJDAGV-UGJKOEBBSA-N |
| Literature Reference Author | F.D.C.L.PINTO,M.D.C.M.TORRES,E.R.SILVEIRA,O.D.L.PESSOA |
| Literature Reference Citation | QUIM.NOVA,36,1111(2013) |
| Literature Reference DOI | 10.1590/s0100-40422013000800006 |
| Molecular Weight | 582.602 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR12027 |