Spektraris NMR
5-hydroxy-6,9-epoxyguaiane
Common Name: 5-hydroxy-6,9-epoxyguaiane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-9(2)15-8-7-14(4,17-15)11-6-5-10(3)12(11)13(15)16/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13+,14+,15+/m0/s1
InChIKey: InChIKey=CXEULTSNAOITBW-CMBQYIQPSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
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) | 49.4 |
| 2 (CH2) | 25.9 |
| 3 (CH2) | 31.6 |
| 4 (CH) | 30.5 |
| 5 (CH) | 48.7 |
| 6 (CH) | 71.8 |
| 7 (C) | 86.4 |
| 8 (CH2) | 29.2 |
| 9 (CH2) | 31.7 |
| 10 (C) | 83 |
| 11 (CH) | 32.5 |
| 12 (CH3) | 17.5 |
| 13 (CH3) | 18.4 |
| 14 (CH3) | 24.3 |
| 15 (CH3) | 17 |
