Spektraris NMR
Phytene-1,2-diol
Common Name: Phytene-1,2-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(22)15-21/h16-18,20-22H,5-15H2,1-4H3/t17-,18-,20?/m1/s1
InChIKey: InChIKey=KDJDYRMHRJLXAB-KUBVQFIISA-N
Formula: C20H40O2
Molecular Weight: 312.531158
Exact Mass: 312.302831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Brown, G.D. Phytochemistry (1994) 36, 1553-4
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) | 63.2 |
| 2 (CH) | 88.8 |
| 3 (C) | 144.9 |
| 4 (CH2) | 33.6 |
| 5 (CH2) | 25.2 |
| 6 (CH2) | 36.8 |
| 7 (CH) | 32.8 |
| 8 (CH2) | 37.4 |
| 9 (CH2) | 24.5 |
| 10 (CH2) | 37.4 |
| 11 (CH) | 32.7 |
| 12 (CH2) | 37.3 |
| 13 (CH2) | 24.8 |
| 14 (CH2) | 39.4 |
| 15 (CH) | 28 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 19.7 |
| 19 (CH3) | 19.8 |
| 20 (CH2) | 112.8 |
Copyright © 2025
The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.