Spektraris NMR
(2E,10E,12R)-3,7,11,15-Tetramethyl-2,10,14-hexadecatriene-1,7,12-triol
Common Name: (2E,10E,12R)-3,7,11,15-Tetramethyl-2,10,14-hexadecatriene-1,7,12-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O3/c1-16(2)10-11-19(22)18(4)9-7-14-20(5,23)13-6-8-17(3)12-15-21/h9-10,12,19,21-23H,6-8,11,13-15H2,1-5H3/b17-12+,18-9+/t19-,20?/m1/s1
InChIKey: InChIKey=SJHOVDRDQMNUHW-OETXVDTOSA-N
Formula: C20H36O3
Molecular Weight: 324.4988
Exact Mass: 324.266445
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) | 123.6 |
| 3 (C) | 139.4 |
| 4 (CH2) | 39.8 |
| 5 (CH2) | 21.9 |
| 6 (CH2) | 41.4 |
| 7 (C) | 72.8 |
| 8 (CH2) | 41.2 |
| 9 (CH2) | 22.1 |
| 10 (CH) | 126.1 |
| 11 (C) | 136.9 |
| 12 (CH) | 77.1 |
| 13 (CH2) | 34.2 |
| 14 (CH) | 120.1 |
| 15 (C) | 134.7 |
| 16 (CH3) | 25.9 |
| 17 (CH3) | 18 |
| 18 (CH3) | 11.7 |
| 19 (CH3) | 26.7 |
| 20 (CH3) | 16.1 |
