Spektraris NMR
Odoratisol C
Common Name: Odoratisol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12-,19-,20+/m1/s1
InChIKey: InChIKey=GMXMKSFJQLFOSO-MWRFHTASSA-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 : Lignans, Group : 7-7-Monoepoxylignans; 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) | 133.2 |
| 2 (CH) | 109.5 |
| 3 (C) | 146.6 |
| 4 (C) | 145.2 |
| 5 (CH) | 114.2 |
| 6 (CH) | 119.3 |
| 7 (CH) | 87.4 |
| 8 (CH) | 47.8 |
| 9 (CH3) | 14.9 |
| 1' (C) | 132.8 |
| 2' (CH) | 109.8 |
| 3' (C) | 146.2 |
| 4' (C) | 144.6 |
| 5' (CH) | 113.9 |
| 6' (CH) | 119.9 |
| 7' (CH) | 83.1 |
| 8' (CH) | 46 |
| 9' (CH3) | 15 |
| 3a (CH3) | 55.86 |
| 3'a (CH3) | 55.9 |
