Spektraris NMR
(2E,6E,10E,12S)-12-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenal
Common Name: (2E,6E,10E,12S)-12-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenal
Synonyms: (2E,6E,10E,12S)-12-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenal
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-16(2)12-13-20(22)19(5)11-7-10-17(3)8-6-9-18(4)14-15-21/h8,11-12,14-15,20,22H,6-7,9-10,13H2,1-5H3/b17-8+,18-14+,19-11+/t20-/m0/s1
InChIKey: InChIKey=UXONXAKNRFMJGZ-UGGRNDNRSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Culioli, G., Daoudi, M., Ortalo-Magne, A., Valls, R., Piovetti, L. Phytochemistry (2001) 57, 529-35
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 (CH) | 191.3 |
| 2 (CH) | 127.4 |
| 3 (C) | 163.9 |
| 4 (CH2) | 40.5 |
| 5 (CH2) | 26 |
| 6 (CH) | 122.6 |
| 7 (C) | 136.3 |
| 8 (CH2) | 39.2 |
| 9 (CH2) | 25.8 |
| 10 (CH) | 125.6 |
| 11 (C) | 136.9 |
| 12 (CH) | 77.1 |
| 13 (CH2) | 34.2 |
| 14 (CH) | 120.3 |
| 15 (C) | 134.3 |
| 16 (CH3) | 25.6 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 11.6 |
| 19 (CH3) | 16 |
| 20 (CH3) | 17.9 |
