| SpectraBase Compound ID | 4NHgpHRweA |
|---|---|
| InChI | InChI=1S/C20H22O11S.K/c21-10-16-17(24)18(25)19(31-32(26,27)28)20(30-16)29-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11;/h1-9,16-25H,10H2,(H,26,27,28);/q;+1/p-1/b2-1+;/t16-,17-,18+,19-,20-;/m1./s1 |
| InChIKey | JINTUWDOSIBCRP-QJCKGOHYSA-M |
| Mol Weight | 508.54 g/mol |
| Molecular Formula | C20H21KO11S |
| Exact Mass | 508.044164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2xNeN2i1wH |
|---|---|
| Name | TRANS-RESVERATROL-3-O-BETA-D-GLUCOPYRANOSIDE-2''-SULFATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H21KO11S |
| InChI | InChI=1S/C20H22O11S.K/c21-10-16-17(24)18(25)19(31-32(26,27)28)20(30-16)29-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11;/h1-9,16-25H,10H2,(H,26,27,28);/q;+1/p-1/b2-1+;/t16-,17-,18+,19-,20-;/m1./s1 |
| InChIKey | JINTUWDOSIBCRP-QJCKGOHYSA-M |
| Literature Reference Author | K.XIAO,L.XUAN,Y.XU,D.BAI |
| Literature Reference Citation | J.NAT.PROD.,63,1373(2000) |
| Literature Reference DOI | 10.1021/np000086+ |
| Molecular Weight | 508.538 g/mol |
| Solvent | CD3OD:D2O |