| SpectraBase Compound ID | E2sUFZ5kLIO |
|---|---|
| InChI | InChI=1S/C36H48O19/c1-16-26(41)28(43)30(45)36(52-16)55-33-31(46)35(49-11-10-18-5-8-20(38)23(13-18)48-3)53-24(32(33)54-34-29(44)27(42)21(39)14-51-34)15-50-25(40)9-6-17-4-7-19(37)22(12-17)47-2/h4-9,12-13,16,21,24,26-39,41-46H,10-11,14-15H2,1-3H3/b9-6+/t16-,21+,24-,26-,27+,28+,29-,30+,31-,32-,33-,34-,35-,36-/m1/s1 |
| InChIKey | QKSDWGRVKWJPQJ-YQBDLIJNSA-N |
| Mol Weight | 784.8 g/mol |
| Molecular Formula | C36H48O19 |
| Exact Mass | 784.278979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jPpsnGg3fe |
|---|---|
| Name | PEDICLUARIOSIDE_I;1'-O-BETA-D-(3-METHOXY-4-HYDROXYPHENYL)-ETHYL-ALPHA-L-RHAMNPSYL-(1->3')-ALPHA-L-ARABINOSYL-(1->4')-6'-O-FERULOYLGLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48O19 |
| InChI | InChI=1S/C36H48O19/c1-16-26(41)28(43)30(45)36(52-16)55-33-31(46)35(49-11-10-18-5-8-20(38)23(13-18)48-3)53-24(32(33)54-34-29(44)27(42)21(39)14-51-34)15-50-25(40)9-6-17-4-7-19(37)22(12-17)47-2/h4-9,12-13,16,21,24,26-39,41-46H,10-11,14-15H2,1-3H3/b9-6+/t16-,21+,24-,26-,27+,28+,29-,30+,31-,32-,33-,34-,35-,36-/m1/s1 |
| InChIKey | QKSDWGRVKWJPQJ-YQBDLIJNSA-N |
| Literature Reference Author | Z.J.JIA,Z.M.LIU |
| Literature Reference Citation | PHYTOCHEM.,31,3125(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83458-B |
| Molecular Weight | 784.766 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ23544 |