Spektraris NMR
(2E,6Z,12S,13E)-7-[(Acetyloxy)methyl]-3,11,15-trimethylhexadeca-2,6,13-triene-1,12,15-triol
![(2E,6Z,12S,13E)-7-[(Acetyloxy)methyl]-3,11,15-trimethylhexadeca-2,6,13-triene-1,12,15-triol](/nmr/static/nmr/svg/16639.svg)
Common Name: (2E,6Z,12S,13E)-7-[(Acetyloxy)methyl]-3,11,15-trimethylhexadeca-2,6,13-triene-1,12,15-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H38O5/c1-17(13-15-23)8-6-10-20(16-27-19(3)24)11-7-9-18(2)21(25)12-14-22(4,5)26/h10,12-14,18,21,23,25-26H,6-9,11,15-16H2,1-5H3/b14-12+,17-13+,20-10-/t18?,21-/m1/s1
InChIKey: InChIKey=ROCCQXPZHZBUAS-XSNQFDRCSA-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) | 59.1 |
| 2 (CH) | 124.2 |
| 3 (C) | 138.2 |
| 4 (CH2) | 39.3 |
| 5 (CH2) | 25.7 |
| 6 (CH) | 130.3 |
| 7 (C) | 133.9 |
| 8 (CH2) | 35.3 |
| 9 (CH2) | 25.3 |
| 10 (CH2) | 31.8 |
| 11 (CH) | 38.7 |
| 12 (CH) | 76.3 |
| 13 (CH) | 127.5 |
| 14 (CH) | 139.8 |
| 15 (C) | 70.5 |
| 16 (CH3) | 29.8 |
| 17 (CH3) | 29.6 |
| 18 (CH3) | 15.1 |
| 19 (CH2) | 61.8 |
| 20 (CH3) | 16.1 |
| 19a (C) | 171.2 |
| 19b (CH3) | 20.9 |
