![4-HYDROXYPHENETHOXY-8-O-BETA-D-[6-O-(4-O-BETA-D-GLUCOPYRANOSYL)-SINAPOYL]-GLUCOPYRANOSIDE](/api/spectrum/8mc7mmkGYrF/structure.png?h=300&w=458 "4-HYDROXYPHENETHOXY-8-O-BETA-D-[6-O-(4-O-BETA-D-GLUCOPYRANOSYL)-SINAPOYL]-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | Isjmz5lQMAe |
|---|---|
| InChI | InChI=1S/C31H40O16/c1-41-18-11-16(12-19(42-2)29(18)47-31-28(40)25(37)23(35)20(13-32)45-31)5-8-22(34)44-14-21-24(36)26(38)27(39)30(46-21)43-10-9-15-3-6-17(33)7-4-15/h3-8,11-12,20-21,23-28,30-33,35-40H,9-10,13-14H2,1-2H3/b8-5+/t20-,21+,23-,24+,25+,26-,27+,28-,30+,31+/m0/s1 |
| InChIKey | KYNOKKCQQNSCPI-JNKGPNHPSA-N |
| Mol Weight | 668.6 g/mol |
| Molecular Formula | C31H40O16 |
| Exact Mass | 668.231635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mc7mmkGYrF |
|---|---|
| Name | 4-HYDROXYPHENETHOXY-8-O-BETA-D-[6-O-(4-O-BETA-D-GLUCOPYRANOSYL)-SINAPOYL]-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O16 |
| InChI | InChI=1S/C31H40O16/c1-41-18-11-16(12-19(42-2)29(18)47-31-28(40)25(37)23(35)20(13-32)45-31)5-8-22(34)44-14-21-24(36)26(38)27(39)30(46-21)43-10-9-15-3-6-17(33)7-4-15/h3-8,11-12,20-21,23-28,30-33,35-40H,9-10,13-14H2,1-2H3/b8-5+/t20-,21+,23-,24+,25+,26-,27+,28-,30+,31+/m0/s1 |
| InChIKey | KYNOKKCQQNSCPI-JNKGPNHPSA-N |
| Literature Reference Author | Y.R.LI,L.XU,C.LI,Z.M.WANG,L.X.YANG |
| Literature Reference Citation | J.AS.NAT.PROD.RES.,16,730(2014) |
| Literature Reference DOI | 10.1080/10286020.2014.904292 |
| Molecular Weight | 668.649 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWPA9200 |