Spektraris NMR
b,b-Symmetrical 1,3-dihydroxy-2-propyl succinate DHAacetaldimer
Common Name: b,b-Symmetrical 1,3-dihydroxy-2-propyl succinate DHAacetaldimer
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H56O14/c1-19-7-9-26-21(3)30(44-32-36(26)24(19)13-15-34(5,46-32)48-50-36)41-17-23(43-29(40)12-11-28(38)39)18-42-31-22(4)27-10-8-20(2)25-14-16-35(6)47-33(45-31)37(25,27)51-49-35/h19-27,30-33H,7-18H2,1-6H3,(H,38,39)/t19-,20-,21-,22-,23?,24+,25+,26+,27+,30+,31+,32-,33+,34+,35+,36-,37-/m1/s1
InChIKey: InChIKey=CECFVUQUCXYIPF-GGYROSHESA-N
Formula: C37H56O14
Molecular Weight: 724.833579
Exact Mass: 724.367007
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Galal, A.M., Gul, W., Slade, D., Ross, S.A., Feng, S., Hollingshead, M.G., Alley, M.C., Kaur, G., ElSohly, M.A. Bioorg Med Chem (2009) 17, 741-51
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) | 53.09 |
| 2 (CH2) | 24.98 |
| 3 (CH2) | 36.7 |
| 4 (C) | 103.92 |
| 5 (CH) | 88.03 |
| 6 (C) | 80.97 |
| 7 (CH) | 44.89 |
| 8 (CH2) | 24.74 |
| 9 (CH2) | 34.99 |
| 10 (CH) | 37.63 |
| 11 (CH) | 31.33 |
| 12 (CH) | 102.46 |
| 13 (CH3) | 12.81 |
| 14 (CH3) | 20.23 |
| 15 (CH3) | 25.72 |
| 16 (CH2) | 66.74 |
| 17 (CH) | 71.92 |
| 18 (C) | 171.7 |
| 19 (CH2) | 29.48 |
| 20 (CH2) | 28.87 |
| 21 (C) | 172.99 |
| 1' (CH) | 53.09 |
| 2' (CH2) | 24.98 |
| 3' (CH2) | 36.7 |
| 4' (C) | 103.92 |
| 5' (CH) | 87.99 |
| 6' (C) | 80.97 |
| 7' (CH) | 44.89 |
| 8' (CH2) | 24.74 |
| 9' (CH2) | 34.99 |
| 10' (CH) | 37.63 |
| 11' (CH) | 31.29 |
| 12' (CH) | 102.32 |
| 13' (CH3) | 12.81 |
| 14' (CH3) | 20.23 |
| 15' (CH3) | 25.72 |
| 16' (CH2) | 66.59 |
