![4-(1,2-DIHYDROXYETHYL)-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(3,4-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/5xKZ4qWn5qf/structure.png?h=300&w=458 "4-(1,2-DIHYDROXYETHYL)-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(3,4-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | FfAgTiagQ3T |
|---|---|
| InChI | InChI=1S/C29H38O16/c1-38-17-6-5-15(9-19(17)39-2)26(36)42-12-29(37)13-43-28(25(29)35)41-11-21-22(32)23(33)24(34)27(45-21)44-18-7-4-14(16(31)10-30)8-20(18)40-3/h4-9,16,21-25,27-28,30-35,37H,10-13H2,1-3H3/t16?,21-,22-,23+,24-,25+,27-,28-,29-/m0/s1 |
| InChIKey | IVHKKBDDNUGYCJ-YXXXNJMDSA-N |
| Mol Weight | 642.6 g/mol |
| Molecular Formula | C29H38O16 |
| Exact Mass | 642.215985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5xKZ4qWn5qf |
|---|---|
| Name | 4-(1,2-DIHYDROXYETHYL)-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(3,4-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O16 |
| InChI | InChI=1S/C29H38O16/c1-38-17-6-5-15(9-19(17)39-2)26(36)42-12-29(37)13-43-28(25(29)35)41-11-21-22(32)23(33)24(34)27(45-21)44-18-7-4-14(16(31)10-30)8-20(18)40-3/h4-9,16,21-25,27-28,30-35,37H,10-13H2,1-3H3/t16?,21-,22-,23+,24-,25+,27-,28-,29-/m0/s1 |
| InChIKey | IVHKKBDDNUGYCJ-YXXXNJMDSA-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 | 642.611 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN29757 |