Spektraris NMR
3a,4a-Epoxy-6a-(2'-methylacryloyl)oxy-8a-methoxyeremophil-7(11)-en-8b,12-olide
Common Name: 3a,4a-Epoxy-6a-(2'-methylacryloyl)oxy-8a-methoxyeremophil-7(11)-en-8b,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-10(2)16(21)24-15-14-11(3)17(22)26-20(14,23-6)9-12-7-8-13-19(5,25-13)18(12,15)4/h12-13,15H,1,7-9H2,2-6H3/t12-,13-,15+,18-,19-,20-/m1/s1
InChIKey: InChIKey=SSYQMNDGFXCNMB-GTAIGVONSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
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) | 46.4 |
| 6 (CH) | 71 |
| 7 (C) | 153.2 |
| 8 (C) | 106.1 |
| 9 (CH2) | 40.8 |
| 10 (CH) | 35.4 |
| 11 (C) | 126.7 |
| 12 (C) | 170.8 |
| 13 (CH3) | 9.7 |
| 14 (CH3) | 12 |
| 15 (CH3) | 15.6 |
| 6a (C) | 166.7 |
| 6b (C) | 135.6 |
| 6c (CH2) | 127 |
| 6ba (CH3) | 18.1 |
| 8a (CH3) | 50.1 |
