Spektraris NMR
b,b-Symmetrical 1,2-ethanediol dihydroartemisiteneacetaldimer
Common Name: b,b-Symmetrical 1,2-ethanediol dihydroartemisiteneacetaldimer
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O10/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/h17-18,21-28H,3-4,7-16H2,1-2,5-6H3/t17-,18-,21+,22+,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-/m1/s1
InChIKey: InChIKey=CRLVJMXLSGNIAG-IABQOCJASA-N
Formula: C32H46O10
Molecular Weight: 590.702873
Exact Mass: 590.309098
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) | 52.12 |
| 2 (CH2) | 24.64 |
| 3 (CH2) | 34.36 |
| 4 (C) | 103.52 |
| 5 (CH) | 88.05 |
| 6 (C) | 80.8 |
| 7 (CH) | 48.33 |
| 8 (CH2) | 31.37 |
| 9 (CH2) | 34.36 |
| 10 (CH) | 37.01 |
| 11 (C) | 143.08 |
| 12 (CH) | 101.23 |
| 13 (CH2) | 114.52 |
| 14 (CH3) | 20.01 |
| 15 (CH3) | 25.85 |
| 16 (CH2) | 66.57 |
| 1' (CH) | 52.12 |
| 2' (CH2) | 24.64 |
| 3' (CH2) | 34.36 |
| 4' (C) | 103.52 |
| 5' (CH) | 88.05 |
| 6' (C) | 80.8 |
| 7' (CH) | 48.33 |
| 8' (CH2) | 31.37 |
| 9' (CH2) | 34.36 |
| 10' (CH) | 37.01 |
| 11' (C) | 143.08 |
| 12' (CH) | 101.23 |
| 13' (CH2) | 114.52 |
| 14' (CH3) | 20.01 |
| 15' (CH3) | 25.85 |
| 16' (CH2) | 66.57 |
