Spektraris NMR
(8R,7'S,8'R)-5,5'-Dimethoxylariciresinol 9'-O-β -D-(6-O-E-4-Hydroxy-3,5-dimethoxycinnamoyl)-glucopyranoside
Common Name: (8R,7'S,8'R)-5,5'-Dimethoxylariciresinol 9'-O-β -D-(6-O-E-4-Hydroxy-3,5-dimethoxycinnamoyl)-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H48O17/c1-47-24-10-19(11-25(48-2)32(24)41)7-8-31(40)53-18-30-35(44)36(45)37(46)39(56-30)55-17-23-22(9-20-12-26(49-3)33(42)27(13-20)50-4)16-54-38(23)21-14-28(51-5)34(43)29(15-21)52-6/h7-8,10-15,22-23,30,35-39,41-46H,9,16-18H2,1-6H3/b8-7+/t22-,23-,30+,35+,36-,37+,38+,39+/m0/s1
InChIKey: InChIKey=MUMASVOACPGOAP-FAHWLZQFSA-N
Formula: C39H48O17
Molecular Weight: 788.78974
Exact Mass: 788.28915
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Warashina, T., Shikata, K., Miyase, T., Fujii, S., Noro, T. Chem Pharm Bull (2008) 56, 1159-63
Species:
Notes: Family : Lignans, Type : Lignans, Group : 7-9-Monoepoxylignans; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 131.7 |
| 2 (CH) | 107.3 |
| 3 (C) | 149.2 |
| 4 (C) | 136.1 |
| 5 (C) | 149.2 |
| 6 (CH) | 107.3 |
| 7 (CH2) | 34.3 |
| 8 (CH) | 43.6 |
| 9 (CH2) | 73.1 |
| 1' (C) | 134.3 |
| 2' (CH) | 104.7 |
| 3' (C) | 149.2 |
| 4' (C) | 137 |
| 5' (C) | 149.2 |
| 6' (CH) | 104.7 |
| 7' (CH) | 83.5 |
| 8' (CH) | 51.3 |
| 9' (CH2) | 68.3 |
| 1'' (CH) | 105.1 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78.5 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 75.6 |
| 6'' (CH2) | 64.6 |
| 1''' (C) | 126.6 |
| 2''' (CH) | 107.02 |
| 3''' (C) | 149.52 |
| 4''' (C) | 139.8 |
| 5''' (C) | 149.52 |
| 6''' (CH) | 107.02 |
| 7''' (CH) | 147.3 |
| 8''' (CH) | 115.7 |
| 9''' (C) | 168.9 |
| 3a (CH3) | 56.5 |
| 5a (CH3) | 56.5 |
| 3'a (CH3) | 56.5 |
| 5'a (CH3) | 56.5 |
| 3'''a (CH3) | 56 |
| 5'''a (CH3) | 56 |
