Spektraris NMR
Odoratisol B
Common Name: Odoratisol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O5/c1-5-6-14-7-10-17(19(11-14)24-4)25-13(2)20(22)15-8-9-16(21)18(12-15)23-3/h5-13,20-22H,1-4H3/b6-5+/t13-,20+/m1/s1
InChIKey: InChIKey=WCFYXOLUODJLKB-IJVJVEAYSA-N
Formula: C20H24O5
Molecular Weight: 344.402321
Exact Mass: 344.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Phan, M.G., Phan, T.S., Matsunami, K., Otsuka, H. Chem Pharm Bull (2006) 54, 380-3
Species:
Notes: Family : Lignans, Type : Neolignans, Group : Oxyneolignans; 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) | 133.8 |
| 2 (CH) | 109 |
| 3 (C) | 146.5 |
| 4 (C) | 144.9 |
| 5 (CH) | 113.9 |
| 6 (CH) | 119.9 |
| 7 (CH) | 82.4 |
| 8 (CH) | 73.7 |
| 9 (CH3) | 13.4 |
| 1' (C) | 131.9 |
| 2' (CH) | 119.1 |
| 3' (C) | 145.6 |
| 4' (C) | 151.6 |
| 5' (CH) | 109.5 |
| 6' (CH) | 118.8 |
| 7' (CH) | 130.5 |
| 8' (CH) | 125 |
| 9' (CH3) | 18.5 |
| 3a (CH3) | 55.8 |
| 3'a (CH3) | 55.9 |
