Spektraris NMR
Dehydroabietic acid
Common Name: Dehydroabietic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
InChIKey: InChIKey=NFWKVWVWBFBAOV-MISYRCLQSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - van Beek, T.A., Claassen, F.W., Dorado, J., Godejohann, M., Sierra-Alvarez, R., Wijnberg, J.B. J Nat Prod (2007) 70, 154-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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 (CH2) | 37.9 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 36.7 |
| 4 (C) | 47.5 |
| 5 (CH) | 44.6 |
| 6 (CH2) | 21.8 |
| 7 (CH2) | 30 |
| 8 (C) | 134.7 |
| 9 (C) | 146.8 |
| 10 (C) | 36.9 |
| 11 (CH) | 124.2 |
| 12 (CH) | 123.9 |
| 13 (C) | 145.8 |
| 14 (CH) | 126.9 |
| 15 (CH) | 33.5 |
| 16 (CH3) | 24 |
| 17 (CH3) | 24 |
| 18 (C) | 185.4 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 25.2 |
