Spektraris NMR
(2E,10E,12R)-3,11,15-Trimethyl-7-methylene-2,10,14-hexadecatriene-1,6,12-triol
Common Name: (2E,10E,12R)-3,11,15-Trimethyl-7-methylene-2,10,14-hexadecatriene-1,6,12-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-15(2)9-11-19(22)17(4)7-6-8-18(5)20(23)12-10-16(3)13-14-21/h7,9,13,19-23H,5-6,8,10-12,14H2,1-4H3/b16-13+,17-7+/t19-,20?/m1/s1
InChIKey: InChIKey=OWUDIDPKJUCMTM-YXRHDHNMSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Culioli, G., Ortalo-Magne, A., Daoudi, M., Thomas-Guyon, H., Valls, R., Piovetti, L. Phytochemistry (2004) 65, 2063-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 59.2 |
| 2 (CH) | 123.7 |
| 3 (C) | 139.1 |
| 4 (CH2) | 35.5 |
| 5 (CH2) | 33.3 |
| 6 (CH) | 74.9 |
| 7 (C) | 151.3 |
| 8 (CH2) | 30.9 |
| 9 (CH2) | 26.1 |
| 10 (CH) | 125.6 |
| 11 (C) | 137.1 |
| 12 (CH) | 77.1 |
| 13 (CH2) | 34.1 |
| 14 (CH) | 120.1 |
| 15 (C) | 134.6 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 17.9 |
| 18 (CH3) | 11.7 |
| 19 (CH2) | 109.9 |
| 20 (CH3) | 16.2 |
