Spektraris NMR
Di-(Z)-feruloylsecoisolariciresinol
Common Name: Di-(Z)-feruloylsecoisolariciresinol
Synonyms: Di-(Z)-feruloylsecoisolariciresinol
CAS Registry Number:
InChI: InChI=1S/C40H42O12/c1-47-35-19-25(5-11-31(35)41)9-15-39(45)51-23-29(17-27-7-13-33(43)37(21-27)49-3)30(18-28-8-14-34(44)38(22-28)50-4)24-52-40(46)16-10-26-6-12-32(42)36(20-26)48-2/h5-16,19-22,29-30,41-44H,17-18,23-24H2,1-4H3/b15-9-,16-10-/t29-,30-/m0/s1
InChIKey: InChIKey=MOFDLYLEJWQRHD-AXAMTMCNSA-N
Formula: C40H42O12
Molecular Weight: 714.755807
Exact Mass: 714.267627
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, J.J., Yang, C.S., Peng, C.F., Chen, I.S., Miaw, C.L. J Nat Prod (2008) 71, 1016-21
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutanes; 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) | 131.9 |
| 2 (CH) | 111.5 |
| 3 (C) | 146.7 |
| 4 (C) | 144.1 |
| 5 (CH) | 114.4 |
| 6 (CH) | 122 |
| 7 (CH2) | 35.5 |
| 8 (CH) | 40.1 |
| 9 (CH2) | 64.5 |
| 1' (C) | 131.9 |
| 2' (CH) | 111.5 |
| 3' (C) | 146.7 |
| 4' (C) | 144.1 |
| 5' (CH) | 114.4 |
| 6' (CH) | 122 |
| 7' (CH2) | 35.5 |
| 8' (CH) | 40.1 |
| 9' (CH2) | 64.5 |
| 1'' (C) | 127.3 |
| 2'' (CH) | 113.1 |
| 3'' (C) | 146.2 |
| 4'' (C) | 147.4 |
| 5'' (CH) | 114.1 |
| 6'' (CH) | 126 |
| 7'' (CH) | 144.9 |
| 8'' (CH) | 116.5 |
| 9'' (C) | 166.6 |
| 1''' (C) | 127.3 |
| 2''' (CH) | 113.1 |
| 3''' (C) | 146.2 |
| 4''' (C) | 147.4 |
| 5''' (CH) | 114.1 |
| 6''' (CH) | 126 |
| 7''' (CH) | 144.9 |
| 8''' (CH) | 116.5 |
| 9''' (C) | 166.6 |
| 3a (CH3) | 56 |
| 3'a (CH3) | 56 |
| 3''a (CH3) | 56.2 |
| 3'''a (CH3) | 56.2 |
