Spektraris NMR
b,b-Symmetrical 1,2-ethanediol DHA acetal dimer
Common Name: b,b-Symmetrical 1,2-ethanediol DHA acetal dimer
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O10/c1-17-7-9-23-19(3)25(35-27-31(23)21(17)11-13-29(5,37-27)39-41-31)33-15-16-34-26-20(4)24-10-8-18(2)22-12-14-30(6)38-28(36-26)32(22,24)42-40-30/h17-28H,7-16H2,1-6H3/t17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-/m1/s1
InChIKey: InChIKey=ROQIHFFCAPNSHV-BEZWYCNRSA-N
Formula: C32H50O10
Molecular Weight: 594.734636
Exact Mass: 594.340398
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) | 52.6 |
| 2 (CH2) | 24.71 |
| 3 (CH2) | 36.46 |
| 4 (C) | 104.07 |
| 5 (CH) | 87.93 |
| 6 (C) | 81.09 |
| 7 (CH) | 44.5 |
| 8 (CH2) | 24.44 |
| 9 (CH2) | 34.7 |
| 10 (CH) | 37.48 |
| 11 (CH) | 30.86 |
| 12 (CH) | 102.44 |
| 13 (CH3) | 12.99 |
| 14 (CH3) | 20.37 |
| 15 (CH3) | 26.18 |
| 16 (CH2) | 67.98 |
| 1' (CH) | 52.6 |
| 2' (CH2) | 24.71 |
| 3' (CH2) | 36.46 |
| 4' (C) | 104.07 |
| 5' (CH) | 87.93 |
| 6' (C) | 81.09 |
| 7' (CH) | 44.5 |
| 8' (CH2) | 24.44 |
| 9' (CH2) | 34.7 |
| 10' (CH) | 37.48 |
| 11' (CH) | 30.86 |
| 12' (CH) | 102.44 |
| 13' (CH3) | 12.99 |
| 14' (CH3) | 20.37 |
| 15' (CH3) | 26.18 |
| 16' (CH2) | 67.98 |
