Spektraris NMR
(-)-Lariciresinol 4’-(6''-O-Feruloyl-β-D-glucopyranoside)
Common Name: (-)-Lariciresinol 4’-(6''-O-Feruloyl-β-D-glucopyranoside)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H42O14/c1-44-27-13-19(4-8-24(27)38)6-11-31(40)47-18-30-32(41)33(42)34(43)36(50-30)49-26-10-5-20(14-29(26)46-3)12-22-17-48-35(23(22)16-37)21-7-9-25(39)28(15-21)45-2/h4-11,13-15,22-23,30,32-39,41-43H,12,16-18H2,1-3H3/b11-6+/t22-,23-,30+,32+,33-,34+,35+,36+/m0/s1
InChIKey: InChIKey=HCBWZDHWOYYYFX-PNYQTAEKSA-N
Formula: C36H42O14
Molecular Weight: 698.711673
Exact Mass: 698.257456
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ouyang, M.A., Wein, Y.S., Kuo, Y.H. Helv Chim Acta (2007) 90, 1099-106
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) | 133.1 |
| 2 (CH) | 111.1 |
| 3 (C) | 148 |
| 4 (C) | 145.4 |
| 5 (CH) | 115.6 |
| 6 (CH) | 121.6 |
| 7 (CH2) | 33.5 |
| 8 (CH) | 43.3 |
| 9 (CH2) | 73.1 |
| 1' (C) | 139.7 |
| 2' (CH) | 112.9 |
| 3' (C) | 146.5 |
| 4' (C) | 149.9 |
| 5' (CH) | 117.5 |
| 6' (CH) | 118.7 |
| 7' (CH) | 82.9 |
| 8' (CH) | 53.8 |
| 9' (CH2) | 60.3 |
| 1'' (CH) | 102.5 |
| 2'' (CH) | 74.6 |
| 3'' (CH) | 77.7 |
| 4'' (CH) | 71.2 |
| 5'' (CH) | 75 |
| 6'' (CH2) | 64.1 |
| 1''' (C) | 127.2 |
| 2''' (CH) | 111 |
| 3''' (C) | 148.6 |
| 4''' (C) | 149.9 |
| 5''' (CH) | 116 |
| 6''' (CH) | 124 |
| 7''' (CH) | 145.8 |
| 8''' (CH) | 115.4 |
| 9''' (C) | 167.2 |
| 3a (CH3) | 56.3 |
| 3'a (CH3) | 56.2 |
| 3'''a (CH3) | 56.4 |
