Spektraris NMR
Wilforol F
Common Name: Wilforol F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-12(2)18-15(25-5)10-14-13(19(18)24)6-7-16-20(14,3)9-8-17(23)21(16,4)11-22/h10,12,16,22,24H,6-9,11H2,1-5H3/t16-,20-,21-/m1/s1
InChIKey: InChIKey=DRRKGPWOHIAOQU-MAODMQOUSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morota, T., Qin, W.Z., Takagi, K., Xu, L.H., Maruno, M., Yang, B.H. Phytochemistry (1995) 40, 865-70
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) | 37.3 |
| 2 (CH2) | 34.9 |
| 3 (C) | 220 |
| 4 (C) | 51 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 24.4 |
| 8 (C) | 113.9 |
| 9 (C) | 145.3 |
| 10 (C) | 37.1 |
| 11 (CH) | 100.9 |
| 12 (C) | 156.9 |
| 13 (C) | 119.4 |
| 14 (C) | 151.6 |
| 15 (CH) | 24.3 |
| 16 (CH3) | 20.9 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 22.2 |
| 19 (CH2) | 65.7 |
| 20 (CH3) | 25.3 |
| 12a (CH3) | 55.8 |
