![2-(4-HYDROXYPHENYL)-ETHYL-1-O-BETA-D-[5-O-(3,4-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/EQJhRILbDWF/structure.png?h=300&w=458 "2-(4-HYDROXYPHENYL)-ETHYL-1-O-BETA-D-[5-O-(3,4-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 3LDvlB8zbka |
|---|---|
| InChI | InChI=1S/C28H36O14/c1-36-18-8-5-16(11-19(18)37-2)25(34)40-13-28(35)14-41-27(24(28)33)39-12-20-21(30)22(31)23(32)26(42-20)38-10-9-15-3-6-17(29)7-4-15/h3-8,11,20-24,26-27,29-33,35H,9-10,12-14H2,1-2H3/t20-,21-,22+,23-,24-,26-,27+,28+/m1/s1 |
| InChIKey | PGPDKMQOQDXHAJ-RFILOSANSA-N |
| Mol Weight | 596.6 g/mol |
| Molecular Formula | C28H36O14 |
| Exact Mass | 596.210506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQJhRILbDWF |
|---|---|
| Name | 2-(4-HYDROXYPHENYL)-ETHYL-1-O-BETA-D-[5-O-(3,4-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O14 |
| InChI | InChI=1S/C28H36O14/c1-36-18-8-5-16(11-19(18)37-2)25(34)40-13-28(35)14-41-27(24(28)33)39-12-20-21(30)22(31)23(32)26(42-20)38-10-9-15-3-6-17(29)7-4-15/h3-8,11,20-24,26-27,29-33,35H,9-10,12-14H2,1-2H3/t20-,21-,22+,23-,24-,26-,27+,28+/m1/s1 |
| InChIKey | PGPDKMQOQDXHAJ-RFILOSANSA-N |
| Literature Reference Author | T.WARASHINA,Y.NAGATANI,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,65,2003(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.06.012 |
| Molecular Weight | 596.585 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN29932 |