Spektraris NMR
Pimaric acid
Common Name: Pimaric acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1
InChIKey: InChIKey=MHVJRKBZMUDEEV-APQLOABGSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wenkert, E., Buckwalter, B.L. J Am Chem Soc (1972) 94, 4367
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pimaranes; 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) | 38.6 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 37.5 |
| 4 (C) | 47.6 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 25.5 |
| 7 (CH2) | 35.8 |
| 8 (C) | 138.5 |
| 9 (CH) | 51.9 |
| 10 (C) | 38.1 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 36 |
| 13 (C) | 39 |
| 14 (CH) | 128.2 |
| 15 (CH) | 147.8 |
| 16 (CH2) | 113.2 |
| 17 (CH3) | 22.9 |
| 18 (C) | 185.7 |
| 19 (CH3) | 17.6 |
| 20 (CH3) | 15.4 |
