Spektraris NMR
(-)-Acanthoic acid
Common Name: (-)-Acanthoic acid
Synonyms: (-)-Acanthoic acid
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/h5,9,14,16H,1,6-8,10-13H2,2-4H3,(H,21,22)/t14-,16-,18-,19-,20+/m0/s1
InChIKey: InChIKey=TVHDZSRRHQKNEZ-MGFONVBGSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kim, Y.H., Chung, B.S., Sankawa, U. J Nat Prod (1988) 51, 1080-3
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) | 41.87 |
| 2 (CH2) | 18.86 |
| 3 (CH2) | 37.99 |
| 4 (C) | 44.15 |
| 5 (CH) | 47.95 |
| 6 (CH2) | 20.29 |
| 7 (CH2) | 27.71 |
| 8 (CH) | 28.62 |
| 9 (C) | 149.75 |
| 10 (C) | 38.37 |
| 11 (CH) | 116.5 |
| 12 (CH2) | 37.41 |
| 13 (C) | 34.78 |
| 14 (CH2) | 41.74 |
| 15 (CH) | 150.05 |
| 16 (CH2) | 109.1 |
| 17 (CH3) | 22.15 |
| 18 (CH3) | 28.51 |
| 19 (C) | 185.04 |
| 20 (CH3) | 22.33 |
