Spektraris NMR
Trans-communic acid
Common Name: Trans-communic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,8,16-17H,1,3,7,9-13H2,2,4-5H3,(H,21,22)/b14-8+/t16-,17+,19+,20-/m0/s1
InChIKey: InChIKey=YGBZFOQXPOGACY-VWVSFFKRSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Smith, E.C., Williamson, E.M., Wareham, N., Kaatz, G.W., Gibbons, S. Phytochemistry (2007) 68, 210-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 39.2 |
| 4 (C) | 44.1 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 25.8 |
| 7 (CH2) | 38.5 |
| 8 (C) | 147.9 |
| 9 (CH) | 56.4 |
| 10 (C) | 40.3 |
| 11 (CH2) | 23.3 |
| 12 (CH) | 133.9 |
| 13 (C) | 133.4 |
| 14 (CH) | 141.6 |
| 15 (CH2) | 109.9 |
| 16 (CH3) | 11.8 |
| 17 (CH2) | 107.7 |
| 18 (CH3) | 29 |
| 19 (C) | 182.5 |
| 20 (CH3) | 12.8 |
