Spektraris NMR
1β,10β-Epoxy-8β-ethoxy-6β-[(2-methylacryloyl)oxy]eremophil-7(11)-en-12,8α-olide
![1β,10β-Epoxy-8β-ethoxy-6β-[(2-methylacryloyl)oxy]eremophil-7(11)-en-12,8α-olide](/nmr/static/nmr/svg/18611.svg)
Common Name: 1β,10β-Epoxy-8β-ethoxy-6β-[(2-methylacryloyl)oxy]eremophil-7(11)-en-12,8α-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O6/c1-7-24-21-10-20-14(26-20)9-8-12(4)19(20,6)16(25-17(22)11(2)3)15(21)13(5)18(23)27-21/h12,14,16H,2,7-10H2,1,3-6H3/t12-,14+,16+,19-,20+,21-/m0/s1
InChIKey: InChIKey=UEYXHFVQQGVQGL-KUKYRTAZSA-N
Formula: C21H28O6
Molecular Weight: 376.444225
Exact Mass: 376.188589
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) | 20.2 |
| 3 (CH2) | 23.8 |
| 4 (CH) | 32.5 |
| 5 (C) | 43.2 |
| 6 (CH) | 73.9 |
| 7 (C) | 153.9 |
| 8 (C) | 103.9 |
| 9 (CH2) | 43.5 |
| 10 (C) | 60.7 |
| 11 (C) | 126.1 |
| 12 (C) | 170.7 |
| 13 (CH3) | 8.1 |
| 14 (CH3) | 14.5 |
| 15 (CH3) | 15.9 |
| 6a (C) | 166.2 |
| 6b (C) | 135.2 |
| 6c (CH2) | 127.5 |
| 6ba (CH3) | 18.3 |
| 8a (CH2) | 58.9 |
| 8b (CH3) | 15.1 |
