Spektraris NMR
Lynoiresinol
Common Name: Lynoiresinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-27-15-7-12(8-16(28-2)20(15)25)18-14(10-24)13(9-23)5-11-6-17(29-3)21(26)22(30-4)19(11)18/h6-8,13-14,18,23-26H,5,9-10H2,1-4H3/t13-,14-,18+/m0/s1
InChIKey: InChIKey=ZDVZKBOFCHOPLM-SUNYJGFJSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ouyang, M.A., Wein, Y.S., Su, R.K., Kuo, Y.H. Chem Pharm Bull (2007) 55, 804-7
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) | 129.1 |
| 2 (C) | 106.4 |
| 3 (C) | 146.9 |
| 4 (C) | 137.8 |
| 5 (C) | 146.3 |
| 6 (CH) | 125.8 |
| 7 (CH2) | 33.4 |
| 8 (CH) | 40.7 |
| 9 (CH2) | 66 |
| 1' (C) | 138.6 |
| 2' (CH) | 106.6 |
| 3' (C) | 147.6 |
| 4' (C) | 134.2 |
| 5' (C) | 147.6 |
| 6' (CH) | 106.6 |
| 7' (CH) | 42.1 |
| 8' (CH) | 48.8 |
| 9' (CH2) | 63.3 |
| 3a (CH3) | 58.9 |
| 5a (CH3) | 55.8 |
| 3'a (CH3) | 56.2 |
| 5'a (CH3) | 56.2 |
