Spektraris NMR
6β-(Angeloyloxy)-1β,10β-epoxy-8β-ethoxyeremophil-7(11)-en-12,8α-olide
Common Name: 6β-(Angeloyloxy)-1β,10β-epoxy-8β-ethoxyeremophil-7(11)-en-12,8α-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-7-12(3)18(23)26-17-16-14(5)19(24)28-22(16,25-8-2)11-21-15(27-21)10-9-13(4)20(17,21)6/h7,13,15,17H,8-11H2,1-6H3/b12-7-/t13-,15+,17+,20-,21+,22-/m0/s1
InChIKey: InChIKey=DMGXAFCAJJJRDI-IDAGPLDWSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Z.X., Fei, D.Q., Jia, Z.J. Helv Chim Acta (2008) 91, 1045-52
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 (CH) | 62.5 |
| 2 (CH2) | 20 |
| 3 (CH2) | 23.8 |
| 4 (CH) | 32.1 |
| 5 (C) | 43.2 |
| 6 (CH) | 73.1 |
| 7 (C) | 154.2 |
| 8 (C) | 104.1 |
| 9 (CH2) | 43.5 |
| 10 (C) | 60.8 |
| 11 (C) | 126.1 |
| 12 (C) | 170.9 |
| 13 (CH3) | 7.9 |
| 14 (CH3) | 15 |
| 15 (CH3) | 15.7 |
| 6a (C) | 166.5 |
| 6b (C) | 126.3 |
| 6c (CH) | 141.9 |
| 6d (CH3) | 16.1 |
| 6ba (CH3) | 20.6 |
| 8a (CH2) | 59 |
| 8b (CH3) | 15.2 |
