Spektraris NMR
3a,4a-Epoxy-6a-(2-methyl acryl oyl )oxy-8a-ethoxyeremophil-7(11)-en-8b, 12-olide
Common Name: 3a,4a-Epoxy-6a-(2-methyl acryl oyl )oxy-8a-ethoxyeremophil-7(11)-en-8b, 12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O6/c1-7-24-21-10-13-8-9-14-20(6,26-14)19(13,5)16(25-17(22)11(2)3)15(21)12(4)18(23)27-21/h13-14,16H,2,7-10H2,1,3-6H3/t13-,14-,16+,19-,20-,21-/m1/s1
InChIKey: InChIKey=GJIDPWBARSOWCZ-PDOGPFKTSA-N
Formula: C21H28O6
Molecular Weight: 376.444225
Exact Mass: 376.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Z.X., Lin, C.J., Li, P.L., Jia, Z.J. Planta Med (2007) 73, 585-90
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 25.6 |
| 2 (CH2) | 22.7 |
| 3 (CH) | 61.1 |
| 4 (C) | 59.6 |
| 5 (C) | 46.5 |
| 6 (CH) | 71.1 |
| 7 (C) | 153.8 |
| 8 (C) | 105.9 |
| 9 (CH2) | 41 |
| 10 (CH) | 35.3 |
| 11 (C) | 126.8 |
| 12 (C) | 170.9 |
| 13 (CH3) | 9.8 |
| 14 (CH3) | 12.1 |
| 15 (CH3) | 15.6 |
| 6a (C) | 166.6 |
| 6b (C) | 135.6 |
| 6c (CH2) | 126.7 |
| 6ba (CH3) | 18.1 |
| 8a (CH2) | 58.6 |
| 8b (CH3) | 14.6 |
