Spektraris NMR
(-)-Lariciresinol 4'-(4'',6''-Di-O-feruloyl-β-D-glucopyranoside)
Common Name: (-)-Lariciresinol 4'-(4'',6''-Di-O-feruloyl-β-D-glucopyranoside)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H50O17/c1-55-35-18-25(5-11-31(35)48)8-15-40(51)59-24-39-45(63-41(52)16-9-26-6-12-32(49)36(19-26)56-2)42(53)43(54)46(62-39)61-34-14-7-27(20-38(34)58-4)17-29-23-60-44(30(29)22-47)28-10-13-33(50)37(21-28)57-3/h5-16,18-21,29-30,39,42-50,53-54H,17,22-24H2,1-4H3/b15-8+,16-9+/t29-,30-,39+,42+,43+,44+,45+,46+/m0/s1
InChIKey: InChIKey=IIUCUIAFMBFLHJ-INBWIOHDSA-N
Formula: C46H50O17
Molecular Weight: 874.880773
Exact Mass: 874.3048
NMR Solvent: CD3OD
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 |
| 2 (CH) | 110.9 |
| 3 (C) | 148.4 |
| 4 (C) | 145.1 |
| 5 (CH) | 115.8 |
| 6 (CH) | 121.8 |
| 7 (CH2) | 33.5 |
| 8 (CH) | 43.4 |
| 9 (CH2) | 73.5 |
| 1' (C) | 139.2 |
| 2' (CH) | 112.9 |
| 3' (C) | 150.7 |
| 4' (C) | 146.3 |
| 5' (CH) | 117.9 |
| 6' (CH) | 119.2 |
| 7' (CH) | 83.3 |
| 8' (CH) | 53.6 |
| 9' (CH2) | 60.3 |
| 1'' (CH) | 102.6 |
| 2'' (CH) | 74.2 |
| 3'' (CH) | 75.1 |
| 4'' (CH) | 72.5 |
| 5'' (CH) | 72.9 |
| 6'' (CH2) | 64.1 |
| 1''' (C) | 126.8 |
| 2''' (CH) | 111.2 |
| 3''' (C) | 148.9 |
| 4''' (C) | 150.3 |
| 5''' (CH) | 116.3 |
| 6''' (CH) | 124 |
| 7''' (CH) | 147.5 |
| 8''' (CH) | 115.8 |
| 9''' (C) | 168.2 |
| 1'''' (C) | 126.7 |
| 2'''' (CH) | 111.1 |
| 3'''' (C) | 148.9 |
| 4'''' (C) | 150.3 |
| 5'''' (CH) | 116.3 |
| 6'''' (CH) | 124 |
| 7'''' (CH) | 146.9 |
| 8'''' (CH) | 115.7 |
| 9'''' (C) | 168 |
| 3a (CH3) | 56.7 |
| 3'a (CH3) | 56.8 |
| 3'''a (CH3) | 56.4 |
| 3''''a (CH3) | 56.3 |
