Spektraris NMR
Isolariciresinol
Common Name: Isolariciresinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15+,20?/m1/s1
InChIKey: InChIKey=OGFXBIXJCWAUCH-FOQQBSBESA-N
Formula: C20H24O6
Molecular Weight: 360.401726
Exact Mass: 360.157289
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yang, B.Y., Wang, Q.H., Xia, Y.G., Feng, W.S., Kuang, H.X. Helv Chim Acta (2008) 91, 964-71
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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) | 128.9 |
| 2 (C) | 138.6 |
| 3 (CH) | 117.3 |
| 4 (C) | 145.9 |
| 5 (C) | 147.2 |
| 6 (CH) | 112.3 |
| 7 (CH2) | 33.6 |
| 8 (CH) | 39.9 |
| 9 (CH2) | 62.1 |
| 1' (C) | 134.1 |
| 2' (CH) | 113.7 |
| 3' (C) | 149 |
| 4' (C) | 145.2 |
| 5' (CH) | 115.9 |
| 6' (CH) | 123.1 |
| 7' (CH) | 48 |
| 8' (CH) | 47.9 |
| 9' (CH2) | 65.9 |
| 5a (CH3) | 56.3 |
| 3'a (CH3) | 56.3 |
