Spektraris NMR
3-Acetoxyspathulenol
Common Name: 3-Acetoxyspathulenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O3/c1-9-6-7-12-15(16(12,3)4)14-11(9)8-13(17(14,5)19)20-10(2)18/h11-15,19H,1,6-8H2,2-5H3/t11-,12+,13+,14+,15+,17-/m0/s1
InChIKey: InChIKey=WNMGZFRQTATSEH-CXECBNLGSA-N
Formula: C17H26O3
Molecular Weight: 278.387185
Exact Mass: 278.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wessels, M., Konig, G.M., Wright, A.D. J Nat Prod (2001) 64, 370-2
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aromadendranes; 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) | 48.3 |
| 2 (CH2) | 31.4 |
| 3 (CH) | 82.4 |
| 4 (C) | 81.4 |
| 5 (CH) | 52.5 |
| 6 (CH) | 28.8 |
| 7 (CH) | 27.5 |
| 8 (CH2) | 24.9 |
| 9 (CH2) | 38.9 |
| 10 (C) | 152.8 |
| 11 (C) | 20.3 |
| 12 (CH3) | 16.2 |
| 13 (CH3) | 28.7 |
| 14 (CH2) | 106.2 |
| 15 (CH3) | 19.9 |
| 3a (C) | 171 |
| 3b (CH3) | 21.2 |
