Spektraris NMR
13(R)-Hydroxy-octadeca-(9Z,11E,15Z)-trien-oic acid
Common Name: 13(R)-Hydroxy-octadeca-(9Z,11E,15Z)-trien-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m1/s1
InChIKey: InChIKey=KLLGGGQNRTVBSU-YVCRHRKHSA-N
Formula: C18H30O3
Molecular Weight: 294.429684
Exact Mass: 294.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Waridel, P., Wolfender, J.L., Lachavanne, J.B., Hostettmann, K. Phytochemistry (2004) 65, 945-54
Species:
Notes: Family : Aliphatics, Type : Lipids, Group : Fatty-acids; 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 (C) | 178.3 |
| 2 (CH2) | 33.7 |
| 3 (CH2) | 24.6 |
| 4 (CH2) | 28.8 |
| 5 (CH2) | 28.8 |
| 6 (CH2) | 28.8 |
| 7 (CH2) | 29.3 |
| 8 (CH2) | 27.6 |
| 9 (CH) | 132.9 |
| 10 (CH) | 127.8 |
| 11 (CH) | 125.9 |
| 12 (CH) | 134.9 |
| 13 (CH) | 72.1 |
| 14 (CH2) | 35.2 |
| 15 (CH) | 123.7 |
| 16 (CH) | 135.3 |
| 17 (CH2) | 20.7 |
| 18 (CH3) | 14.2 |
