| SpectraBase Compound ID | 9Q1Jfjvk7qo |
|---|---|
| InChI | InChI=1S/C30H34O16/c1-40-18-10-15(3-6-16(18)31)11-20(28(37)43-13-22-25(34)27(36)30(39)46-22)44-17-7-4-14(9-19(17)41-2)5-8-23(32)42-12-21-24(33)26(35)29(38)45-21/h3-11,21-22,24-27,29-31,33-36,38-39H,12-13H2,1-2H3/b8-5+,20-11+/t21-,22-,24-,25-,26+,27+,29+,30+/m0/s1 |
| InChIKey | ZYEXAHQDHBQUQY-JIMXQBHWSA-N |
| Mol Weight | 650.6 g/mol |
| Molecular Formula | C30H34O16 |
| Exact Mass | 650.184685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Yu4tvr57sc |
|---|---|
| Name | DI-5-O-L-ARABINOFURANOSYL-8-O-4-DEHYDRO-DIFERULATE;ISOMER-B-BETA,A-BETA |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H34O16 |
| InChI | InChI=1S/C30H34O16/c1-40-18-10-15(3-6-16(18)31)11-20(28(37)43-13-22-25(34)27(36)30(39)46-22)44-17-7-4-14(9-19(17)41-2)5-8-23(32)42-12-21-24(33)26(35)29(38)45-21/h3-11,21-22,24-27,29-31,33-36,38-39H,12-13H2,1-2H3/b8-5+,20-11+/t21-,22-,24-,25-,26+,27+,29+,30+/m0/s1 |
| InChIKey | ZYEXAHQDHBQUQY-JIMXQBHWSA-N |
| Literature Reference Author | E.ALLERDINGS,J.RALPH,P.F.SCHATZ,D.GNIECHWITZ,H.STEINHART,M.B UNZEL |
| Literature Reference Citation | PHYTOCHEM.,66,113(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.10.026 |
| Molecular Weight | 650.590 g/mol |
| Solvent | ACETONE-D6:D2O=9:1 |
| Source File Reference | UWVN29707 |