Spektraris NMR
(2E,6Z,11S,12R,14S)-7-(Acetoxymethyl)-3,11,15-trimethyl-12,15-epoxy-2,6-hexadecadiene-1,14-diol
Common Name: (2E,6Z,11S,12R,14S)-7-(Acetoxymethyl)-3,11,15-trimethyl-12,15-epoxy-2,6-hexadecadiene-1,14-diol
Synonyms: (2E,6Z,11S,12R,14S)-7-(Acetoxymethyl)-3,11,15-trimethyl-12,15-epoxy-2,6-hexadecadiene-1,14-diol
CAS Registry Number:
InChI: InChI=1S/C22H38O5/c1-16(12-13-23)8-6-10-19(15-26-18(3)24)11-7-9-17(2)20-14-21(25)22(4,5)27-20/h10,12,17,20-21,23,25H,6-9,11,13-15H2,1-5H3/b16-12+,19-10-/t17-,20+,21-/m0/s1
InChIKey: InChIKey=VQEVVOQGDWRHPP-HJAIRBGWSA-N
Formula: C22H38O5
Molecular Weight: 382.534963
Exact Mass: 382.271924
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) | 59.2 |
| 2 (CH) | 124.2 |
| 3 (C) | 138.4 |
| 4 (CH2) | 39.4 |
| 5 (CH2) | 25.8 |
| 6 (CH) | 130.2 |
| 7 (C) | 134 |
| 8 (CH2) | 35.3 |
| 9 (CH2) | 25.3 |
| 10 (CH2) | 32.9 |
| 11 (CH) | 37.9 |
| 12 (CH) | 80.3 |
| 13 (CH2) | 36.8 |
| 14 (CH) | 78.2 |
| 15 (C) | 82.3 |
| 16 (CH3) | 21.4 |
| 17 (CH3) | 27.9 |
| 18 (CH3) | 14.4 |
| 19 (CH2) | 61.9 |
| 20 (CH3) | 16.1 |
| 19a (C) | 171.1 |
| 19b (CH3) | 20.9 |
