Spektraris NMR
4-Hydroxy-1,8-epiisotenerone
Common Name: 4-Hydroxy-1,8-epiisotenerone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-8-11-5-6-15(8)10(3)13(17)12(16)9(2)14(15,4)7-11/h9-12,16H,1,5-7H2,2-4H3/t9-,10-,11-,12+,14+,15-/m1/s1
InChIKey: InChIKey=QDTSSRCDTBHKAG-PWDJSDCWSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wright, A.D., Goclik, E., Konig, G.M. J Nat Prod (2003) 66, 435-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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) | 37.6 |
| 2 (C) | 213 |
| 3 (CH) | 79.1 |
| 4 (CH) | 43.5 |
| 5 (C) | 42 |
| 6 (CH2) | 46.2 |
| 7 (CH) | 42.1 |
| 8 (C) | 156.7 |
| 9 (CH2) | 28.4 |
| 10 (CH2) | 27 |
| 11 (C) | 56.3 |
| 12 (CH3) | 8.8 |
| 13 (CH3) | 11.1 |
| 14 (CH3) | 17.7 |
| 15 (CH2) | 100.8 |
