Spektraris NMR
2,10,14-Trimethyl-6-methylene-16-acetoxyhexadeca-2,10,14-triene-4,7-dione
Common Name: 2,10,14-Trimethyl-6-methylene-16-acetoxyhexadeca-2,10,14-triene-4,7-dione
Synonyms: 2,10,14-Trimethyl-6-methylene-16-acetoxyhexadeca-2,10,14-triene-4,7-dione
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-16(2)14-21(24)15-19(5)22(25)11-10-17(3)8-7-9-18(4)12-13-26-20(6)23/h8,12,14H,5,7,9-11,13,15H2,1-4,6H3/b17-8+,18-12+
InChIKey: InChIKey=YSAUIJBHWDSQNX-NVJLSHBWSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Culioli, G., Daoudi, M., Mesguiche, V., Valls, R., Piovetti, L. Phytochemistry (1999) 52, 1447-54
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) | 61.2 |
| 2 (CH) | 119.4 |
| 3 (C) | 141.5 |
| 4 (CH2) | 39.6 |
| 5 (CH2) | 26.4 |
| 6 (CH) | 124.3 |
| 7 (C) | 134.7 |
| 8 (CH2) | 34.3 |
| 9 (CH2) | 36.3 |
| 10 (C) | 199.8 |
| 11 (C) | 144.1 |
| 12 (CH2) | 46.7 |
| 13 (C) | 196 |
| 14 (CH) | 123.7 |
| 15 (C) | 154.9 |
| 16 (CH3) | 27.2 |
| 17 (CH3) | 20.6 |
| 18 (CH2) | 125.7 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 16.3 |
| 1a (C) | 170.2 |
| 1b (CH3) | 20.6 |
