Spektraris NMR
6,7-Epoxy-5-hydroxyhumula-2,9-diene
Common Name: 6,7-Epoxy-5-hydroxyhumula-2,9-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-11-6-9-14(2,3)7-5-8-15(4)13(17-15)12(16)10-11/h5-7,12-13,16H,8-10H2,1-4H3/b7-5+,11-6+/t12?,13-,15+/m1/s1
InChIKey: InChIKey=NLKDRIXWXCDONI-WGUWDQQBSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Economides, C., Adam, K.P. Phytochemistry (1998) 49, 859-62
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Humulanes; 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) | 40.9 |
| 2 (CH) | 127.5 |
| 3 (C) | 130 |
| 4 (CH2) | 45.5 |
| 5 (CH) | 69.5 |
| 6 (CH) | 66.2 |
| 7 (C) | 64.6 |
| 8 (CH2) | 41.9 |
| 9 (CH) | 122.1 |
| 10 (CH) | 143.3 |
| 11 (C) | 36.3 |
| 12 (CH3) | 27 |
| 13 (CH3) | 27.8 |
| 14 (CH3) | 18.5 |
| 15 (CH3) | 17.1 |
