Spektraris NMR
12,14-Dihydroxyphytol
Common Name: 12,14-Dihydroxyphytol
Synonyms: 12,14-Dihydroxyphytol
CAS Registry Number:
InChI: InChI=1S/C20H40O3/c1-15(2)19(22)14-20(23)18(5)11-7-10-16(3)8-6-9-17(4)12-13-21/h12,15-16,18-23H,6-11,13-14H2,1-5H3/b17-12+/t16-,18-,19?,20?/m0/s1
InChIKey: InChIKey=JMZZBVNSDNHLIV-SUBPBBSSSA-N
Formula: C20H40O3
Molecular Weight: 328.530563
Exact Mass: 328.297745
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cullmann, F., Becker, H. Phytochemistry (1998) 47, 237-45
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) | 59.4 |
| 2 (CH) | 123.2 |
| 3 (C) | 140 |
| 4 (CH2) | 39.7 |
| 5 (CH2) | 25 |
| 6 (CH2) | 36.5 |
| 7 (CH) | 32.6 |
| 8 (CH2) | 37 |
| 9 (CH2) | 24.8 |
| 10 (CH2) | 33.1 |
| 11 (CH) | 39.3 |
| 12 (CH) | 77 |
| 13 (CH2) | 36.3 |
| 14 (CH) | 78.2 |
| 15 (CH) | 34.2 |
| 16 (CH3) | 18.3 |
| 17 (CH3) | 17.4 |
| 18 (CH3) | 14.1 |
| 19 (CH3) | 19.4 |
| 20 (CH3) | 16.1 |
