Spektraris NMR
Odoratisol D
Common Name: Odoratisol D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12-,19-,20+/m1/s1
InChIKey: InChIKey=JPDORDSJPIKURD-MWRFHTASSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
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) | 132.5 |
| 2 (CH) | 109.3 |
| 3 (C) | 146.55 |
| 4 (C) | 145.3 |
| 5 (CH) | 114.3 |
| 6 (CH) | 119.5 |
| 7 (CH) | 82.8 |
| 8 (CH) | 47.8 |
| 9 (CH3) | 15 |
| 1' (C) | 135.2 |
| 2' (CH) | 120.2 |
| 3' (C) | 147.4 |
| 4' (C) | 146.59 |
| 5' (CH) | 107.7 |
| 6' (CH) | 107.5 |
| 7' (CH) | 87.5 |
| 8' (CH) | 45.9 |
| 9' (CH3) | 14.9 |
| 3a (CH3) | 55.9 |
| 3'a (CH2) | 100.9 |
