Spektraris NMR
14-(4'-Hydroxybenzoyloxy)dauca-4,8-diene
Common Name: 14-(4'-Hydroxybenzoyloxy)dauca-4,8-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O3/c1-15(2)19-11-13-22(3)12-10-16(4-9-20(19)22)14-25-21(24)17-5-7-18(23)8-6-17/h5-8,10,15,23H,4,9,11-14H2,1-3H3/t22-/m0/s1
InChIKey: InChIKey=OKXGQALERULNCC-QFIPXVFZSA-N
Formula: C22H28O3
Molecular Weight: 340.456746
Exact Mass: 340.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Galal, A.M., Abourashed, E.A., Ross, S.A., ElSohly, M.A., Al-Said, M.S., El-Feraly, F.S. J Nat Prod (2001) 64, 399-400
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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) | 49.2 |
| 2 (CH2) | 38.6 |
| 3 (CH2) | 29.8 |
| 4 (C) | 141.3 |
| 5 (C) | 139.4 |
| 6 (CH2) | 22.8 |
| 7 (CH2) | 27.1 |
| 8 (C) | 138.1 |
| 9 (CH) | 128.5 |
| 10 (CH2) | 40.3 |
| 11 (CH) | 26.4 |
| 12 (CH3) | 21.2 |
| 13 (CH3) | 21.8 |
| 14 (CH2) | 70.4 |
| 15 (CH3) | 23.4 |
| 1' (C) | 122.6 |
| 2' (CH) | 131.9 |
| 3' (CH) | 115.2 |
| 4' (C) | 160.2 |
| 5' (CH) | 115.2 |
| 6' (CH) | 131.9 |
| 7' (C) | 166.7 |
