Spektraris NMR
Wilforol E
Common Name: Wilforol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-12(2)18-15(22)11-14-13(19(18)24-6)7-8-16-20(3,4)17(23)9-10-21(14,16)5/h11-12,16,22H,7-10H2,1-6H3/t16-,21+/m0/s1
InChIKey: InChIKey=TZQODEMPJPONPQ-HRAATJIYSA-N
Formula: C21H30O3
Molecular Weight: 330.461891
Exact Mass: 330.219495
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) | 37.7 |
| 2 (CH2) | 34.6 |
| 3 (C) | 217.5 |
| 4 (C) | 47.3 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 20 |
| 7 (CH2) | 24.9 |
| 8 (C) | 120.9 |
| 9 (C) | 146.7 |
| 10 (C) | 37.3 |
| 11 (CH) | 109.1 |
| 12 (C) | 153.6 |
| 13 (C) | 125.1 |
| 14 (C) | 156.1 |
| 15 (CH) | 25.1 |
| 16 (CH3) | 21.2 |
| 17 (CH3) | 21.1 |
| 18 (CH3) | 26.9 |
| 19 (CH3) | 21 |
| 20 (CH3) | 24.5 |
| 14a (CH3) | 60.7 |
