Spektraris NMR
Odoratisol A
Common Name: Odoratisol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O5/c1-6-7-13-8-15-12(2)20(26-21(15)18(9-13)25-5)14-10-16(23-3)19(22)17(11-14)24-4/h6-12,20,22H,1-5H3/b7-6+/t12-,20-/m0/s1
InChIKey: InChIKey=LYZVPGMCGPXCQO-QWTYKDCCSA-N
Formula: C21H24O5
Molecular Weight: 356.413057
Exact Mass: 356.162374
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 : Benzofurans; 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) | 103.6 |
| 3 (C) | 147.1 |
| 4 (C) | 134.9 |
| 5 (C) | 147.1 |
| 6 (CH) | 103.6 |
| 7 (CH) | 94 |
| 8 (CH) | 45.7 |
| 9 (CH3) | 17.6 |
| 1' (C) | 132.3 |
| 2' (CH) | 113.3 |
| 3' (C) | 136.4 |
| 4' (C) | 146.6 |
| 5' (C) | 144.2 |
| 6' (CH) | 109.5 |
| 7' (CH) | 131 |
| 8' (CH) | 123.5 |
| 9' (CH3) | 18.3 |
| 3a (CH3) | 56.4 |
| 5a (CH3) | 56 |
| 5'a (CH3) | 56.4 |
