Spektraris NMR
5-hydroxy-6,9-epoxyguaiane Acetate
Common Name: 5-hydroxy-6,9-epoxyguaiane Acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O3/c1-10(2)17-9-8-16(5,20-17)13-7-6-11(3)14(13)15(17)19-12(4)18/h10-11,13-15H,6-9H2,1-5H3/t11-,13+,14+,15+,16+,17+/m0/s1
InChIKey: InChIKey=FYNHTZVEPNLEFD-IIYRAJEGSA-N
Formula: C17H28O3
Molecular Weight: 280.403066
Exact Mass: 280.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sutthivaiyakit, S., Nakorn, N.N., Kraus, W., Sutthivaiyakit, P. Tetrahedron (2003) 59, 9991-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 48.9 |
| 2 (CH2) | 24.9 |
| 3 (CH2) | 31.2 |
| 4 (CH) | 31.2 |
| 5 (CH) | 47.5 |
| 6 (CH) | 72.7 |
| 7 (C) | 85.8 |
| 8 (CH2) | 30.3 |
| 9 (CH2) | 31.5 |
| 10 (C) | 83.1 |
| 11 (CH) | 33.3 |
| 12 (CH3) | 17.5 |
| 13 (CH3) | 18.2 |
| 14 (CH3) | 24.4 |
| 15 (CH3) | 17.1 |
| 6a (C) | 169.9 |
| 6b (CH3) | 21.4 |
