Spektraris NMR
Secoisolariciresinol-4-O-a-L-rhamnoside
Common Name: Secoisolariciresinol-4-O-a-L-rhamnoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O10/c1-14-23(30)24(31)25(32)26(35-14)36-20-7-5-16(11-22(20)34-3)9-18(13-28)17(12-27)8-15-4-6-19(29)21(10-15)33-2/h4-7,10-11,14,17-18,23-32H,8-9,12-13H2,1-3H3/t14-,17+,18+,23-,24+,25+,26-/m0/s1
InChIKey: InChIKey=VVGWOZWMICCZQJ-AAEZRGTQSA-N
Formula: C26H36O10
Molecular Weight: 508.55905
Exact Mass: 508.230847
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Eklund, P., Holmstrom, T., Al-Ubaydy, L., Sjoholm, R., Hakala, J. Tetrahedron Lett (2006) 47, 1645-8
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) | 136.4 |
| 2 (CH) | 113.3 |
| 3 (C) | 149.8 |
| 4 (C) | 143.1 |
| 5 (CH) | 117.8 |
| 6 (CH) | 120.9 |
| 7 (CH2) | 34 |
| 8 (CH) | 42.4 |
| 9 (CH2) | 60.2 |
| 1' (C) | 132.1 |
| 2' (CH) | 112.8 |
| 3' (C) | 147.2 |
| 4' (C) | 144.3 |
| 5' (CH) | 115 |
| 6' (CH) | 121.1 |
| 7' (CH2) | 33.8 |
| 8' (CH) | 42.8 |
| 9' (CH2) | 60.2 |
| 1'' (CH) | 99.8 |
| 2'' (CH) | 70.3 |
| 3'' (CH) | 70.4 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 69.5 |
| 6'' (CH3) | 17.8 |
| 3a (CH3) | 55.4 |
| 3'a (CH3) | 55.5 |
