Spektraris NMR
(2E,6Z,10E,12R)-7-(Acetoxymethyl)-3,11,15-trimethyl-2,6,10,14-hexadecatetraene-1,12-diol
Common Name: (2E,6Z,10E,12R)-7-(Acetoxymethyl)-3,11,15-trimethyl-2,6,10,14-hexadecatetraene-1,12-diol
Synonyms: (2E,6Z,10E,12R)-7-(Acetoxymethyl)-3,11,15-trimethyl-2,6,10,14-hexadecatetraene-1,12-diol
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-17(2)12-13-22(25)19(4)9-7-11-21(16-26-20(5)24)10-6-8-18(3)14-15-23/h9-10,12,14,22-23,25H,6-8,11,13,15-16H2,1-5H3/b18-14+,19-9+,21-10-/t22-/m1/s1
InChIKey: InChIKey=ZCOFHYGAZMGATH-ORMYALOKSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gao, X., Zhang, Z.X., Jia, Z.J. Helv Chim Acta (2008) 91, 1934-9
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) | 58.9 |
| 2 (CH) | 124 |
| 3 (C) | 137.1 |
| 4 (CH2) | 39.2 |
| 5 (CH2) | 26 |
| 6 (CH) | 130.3 |
| 7 (C) | 133.4 |
| 8 (CH2) | 34 |
| 9 (CH2) | 25.8 |
| 10 (CH) | 125.2 |
| 11 (C) | 138 |
| 12 (CH) | 76.9 |
| 13 (CH2) | 34.6 |
| 14 (CH) | 120.1 |
| 15 (C) | 134.1 |
| 16 (CH3) | 25.7 |
| 17 (CH3) | 17.8 |
| 18 (CH3) | 11.5 |
| 19 (CH2) | 61.8 |
| 20 (CH3) | 16 |
| 19a (C) | 171.1 |
| 19b (CH3) | 20.8 |
