Spektraris NMR
12-Hydroxydehydroabietic acid
Common Name: 12-Hydroxydehydroabietic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1
InChIKey: InChIKey=AYDJDNNMKHXZOQ-MISYRCLQSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kinouchi, Y., Ohtsu, H., Tokuda, H., Nishino, H., Matsunaga, S., Tanaka, R. J Nat Prod (2000) 63, 817-20
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) | 36.6 |
| 4 (C) | 47.3 |
| 5 (CH) | 44.6 |
| 6 (CH2) | 21.9 |
| 7 (CH2) | 29.2 |
| 8 (C) | 127.1 |
| 9 (C) | 147.7 |
| 10 (C) | 36.8 |
| 11 (CH) | 110.8 |
| 12 (C) | 150.7 |
| 13 (C) | 131.7 |
| 14 (CH) | 126.7 |
| 15 (CH) | 26.8 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 22.7 |
| 18 (C) | 183.4 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 25 |
