| SpectraBase Compound ID | ErB1xnYWZXn |
|---|---|
| InChI | InChI=1S/C39H44O16/c1-20-28(44)33(51-25(42)14-12-21-8-4-2-5-9-21)34(52-26(43)15-13-22-10-6-3-7-11-22)38(49-20)53-32-23-16-17-48-36(27(23)39(19-41)35(32)55-39)54-37-31(47)30(46)29(45)24(18-40)50-37/h2-17,20,23-24,27-38,40-41,44-47H,18-19H2,1H3/b14-12+,15-13+/t20-,23-,24+,27-,28-,29+,30-,31+,32+,33+,34+,35+,36+,37-,38-,39+/m1/s1 |
| InChIKey | OQXBCMJIIDQITC-DQFYOGCGSA-N |
| Mol Weight | 768.8 g/mol |
| Molecular Formula | C39H44O16 |
| Exact Mass | 768.262935 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5OoH6IMLLNW |
|---|---|
| Name | 6-O-(2'',3''-DI-O-CINNAMOYL)-RHAMNOPYRANOSYL-CATALPOL |
| Compound Number | 15J |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H44O16 |
| InChI | InChI=1S/C39H44O16/c1-20-28(44)33(51-25(42)14-12-21-8-4-2-5-9-21)34(52-26(43)15-13-22-10-6-3-7-11-22)38(49-20)53-32-23-16-17-48-36(27(23)39(19-41)35(32)55-39)54-37-31(47)30(46)29(45)24(18-40)50-37/h2-17,20,23-24,27-38,40-41,44-47H,18-19H2,1H3/b14-12+,15-13+/t20-,23-,24+,27-,28-,29+,30-,31+,32+,33+,34+,35+,36+,37-,38-,39+/m1/s1 |
| InChIKey | OQXBCMJIIDQITC-DQFYOGCGSA-N |
| Literature Reference Author | R.M.TASKOVA,C.H.GOTFREDSEN,S.R.JENSEN |
| Literature Reference Citation | PHYTOCHEM.,67,286(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.11.011 |
| Molecular Weight | 768.769 g/mol |
| Sample ID | 66031 |
| Solvent | CD3OD |