Spektraris NMR
(1R,4S,5S,6R,8S,10R)-1-acetoxyeremophil-7(11)-en-6,15;8,12-diolide
Common Name: (1R,4S,5S,6R,8S,10R)-1-acetoxyeremophil-7(11)-en-6,15;8,12-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O6/c1-7-13-12(22-15(7)19)6-10-11(21-8(2)18)5-4-9-16(20)23-14(13)17(9,10)3/h9-12,14H,4-6H2,1-3H3/t9-,10+,11-,12+,14+,17-/m1/s1
InChIKey: InChIKey=ORKJJZQJJLZNFN-PEAFKYFUSA-N
Formula: C17H20O6
Molecular Weight: 320.337755
Exact Mass: 320.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, Y.J., Nan, Z.D., Li, W.H., Huang, H.L., Yuan, C.S. Helv Chim Acta (2009) 92, 209-16
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) | 71.5 |
| 2 (CH2) | 27.2 |
| 3 (CH2) | 16 |
| 4 (CH) | 41 |
| 5 (C) | 43.9 |
| 6 (CH) | 82.4 |
| 7 (C) | 153.9 |
| 8 (CH) | 77 |
| 9 (CH2) | 32.4 |
| 10 (CH) | 40.2 |
| 11 (C) | 126.5 |
| 12 (C) | 173.2 |
| 13 (CH3) | 9.5 |
| 14 (CH3) | 21.1 |
| 15 (C) | 174.1 |
| 1a (C) | 170.1 |
| 1b (CH3) | 21.6 |
