Spektraris NMR
(8R,7'S,8'R)-5,5'-Dimethoxylariciresinol 9'-O-β -D-(6-O-E-4-Hydroxycinnamoyl)-glucopyranoside
Common Name: (8R,7'S,8'R)-5,5'-Dimethoxylariciresinol 9'-O-β -D-(6-O-E-4-Hydroxycinnamoyl)-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H44O15/c1-45-25-12-20(13-26(46-2)31(25)40)11-22-16-50-36(21-14-27(47-3)32(41)28(15-21)48-4)24(22)17-51-37-35(44)34(43)33(42)29(52-37)18-49-30(39)10-7-19-5-8-23(38)9-6-19/h5-10,12-15,22,24,29,33-38,40-44H,11,16-18H2,1-4H3/b10-7+/t22-,24-,29+,33+,34-,35+,36+,37+/m0/s1
InChIKey: InChIKey=KKCYUJUITAANCB-WWCCTYCASA-N
Formula: C37H44O15
Molecular Weight: 728.737695
Exact Mass: 728.268021
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) | 127 |
| 2''' (CH) | 131.22 |
| 3''' (CH) | 116.92 |
| 4''' (C) | 161.4 |
| 5''' (CH) | 116.92 |
| 6''' (CH) | 131.22 |
| 7''' (CH) | 146.8 |
| 8''' (CH) | 114.9 |
| 9''' (C) | 169 |
| 3a (CH3) | 56.5 |
| 5a (CH3) | 56.5 |
| 3'a (CH3) | 56.5 |
| 5'a (CH3) | 56.5 |
