![3,4-DIHYDROXYPHENYLETHYL-[[BETA-ALLOPYRANOSYL-(1->3)]-CAFFEOYL-(1->4)-BETA-D-GLUCOPYRANOSE]-BETA-ALLOPYRANOSIDE](/api/spectrum/B52MUV4HUqP/structure.png?h=300&w=458 "3,4-DIHYDROXYPHENYLETHYL-[[BETA-ALLOPYRANOSYL-(1->3)]-CAFFEOYL-(1->4)-BETA-D-GLUCOPYRANOSE]-BETA-ALLOPYRANOSIDE")
| SpectraBase Compound ID | 93c3cCRR8Gs |
|---|---|
| InChI | InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23-,24-,25+,26+,27+,28+,29+/m1/s1 |
| InChIKey | KFEFLPDKISUVNR-KLAZCIFISA-N |
| Mol Weight | 640.6 g/mol |
| Molecular Formula | C29H36O16 |
| Exact Mass | 640.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B52MUV4HUqP |
|---|---|
| Name | 3,4-DIHYDROXYPHENYLETHYL-[[BETA-ALLOPYRANOSYL-(1->3)]-CAFFEOYL-(1->4)-BETA-D-GLUCOPYRANOSE]-BETA-ALLOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O16 |
| InChI | InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23-,24-,25+,26+,27+,28+,29+/m1/s1 |
| InChIKey | KFEFLPDKISUVNR-KLAZCIFISA-N |
| Literature Reference Author | H.FRANZYK,T.L.HUSUM,S.R.JENSEN |
| Literature Reference Citation | PHYTOCHEM.,47,1161(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00527-X |
| Molecular Weight | 640.595 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS536 |