Spektraris NMR
(2E,5E,10E,13R)-3,7,11,15-Tetramethyl-2,5,10,14-hexadecatetraene-1,7,13-triol
Common Name: (2E,5E,10E,13R)-3,7,11,15-Tetramethyl-2,5,10,14-hexadecatetraene-1,7,13-triol
Synonyms: (2E,5E,10E,13R)-3,7,11,15-Tetramethyl-2,5,10,14-hexadecatetraene-1,7,13-triol
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-16(2)14-19(22)15-18(4)9-7-12-20(5,23)11-6-8-17(3)10-13-21/h6,9-11,14,19,21-23H,7-8,12-13,15H2,1-5H3/b11-6+,17-10+,18-9+/t19-,20?/m0/s1
InChIKey: InChIKey=XVUHXGFVXWXCFD-AKURTTJNSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ortalo-Magne, A., Culioli, G., Valls, R., Pucci, B., Piovetti, L. Phytochemistry (2005) 66, 2316-23
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) | 124.3 |
| 3 (C) | 138.3 |
| 4 (CH2) | 42.3 |
| 5 (CH) | 125.2 |
| 6 (CH) | 138.9 |
| 7 (C) | 73 |
| 8 (CH2) | 42.4 |
| 9 (CH2) | 23.1 |
| 10 (CH) | 127.5 |
| 11 (C) | 131.7 |
| 12 (CH2) | 48.1 |
| 13 (CH) | 65.9 |
| 14 (CH) | 128.6 |
| 15 (C) | 134.6 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 18.2 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 28.5 |
| 20 (CH3) | 16.2 |
