![4-HYDROXYMETHYL-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(3,4-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/A7oZVqmO6MI/structure.png?h=300&w=458 "4-HYDROXYMETHYL-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(3,4-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 4zeNse1hFBj |
|---|---|
| InChI | InChI=1S/C28H36O15/c1-36-16-7-5-15(9-19(16)38-3)25(34)40-12-28(35)13-41-27(24(28)33)39-11-20-21(30)22(31)23(32)26(43-20)42-17-6-4-14(10-29)8-18(17)37-2/h4-9,20-24,26-27,29-33,35H,10-13H2,1-3H3/t20-,21-,22+,23-,24+,26-,27-,28-/m0/s1 |
| InChIKey | PFKLYYZITOBUKJ-INWBZJOZSA-N |
| Mol Weight | 612.6 g/mol |
| Molecular Formula | C28H36O15 |
| Exact Mass | 612.20542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7oZVqmO6MI |
|---|---|
| Name | 4-HYDROXYMETHYL-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(3,4-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O15 |
| InChI | InChI=1S/C28H36O15/c1-36-16-7-5-15(9-19(16)38-3)25(34)40-12-28(35)13-41-27(24(28)33)39-11-20-21(30)22(31)23(32)26(43-20)42-17-6-4-14(10-29)8-18(17)37-2/h4-9,20-24,26-27,29-33,35H,10-13H2,1-3H3/t20-,21-,22+,23-,24+,26-,27-,28-/m0/s1 |
| InChIKey | PFKLYYZITOBUKJ-INWBZJOZSA-N |
| Literature Reference Author | T.WARASHINA,Y.NAGATANI,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,66,589(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.01.005 |
| Molecular Weight | 612.585 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN29756 |