Spektraris NMR
14-Hydroxy-15-isovalery“oxy-9-oxo-melampolide
Common Name: 14-Hydroxy-15-isovalery“oxy-9-oxo-melampolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-12(2)7-19(23)25-11-14-5-4-6-15(10-21)17(22)9-16-13(3)20(24)26-18(16)8-14/h6,8,12,16,18,21H,3-5,7,9-11H2,1-2H3/b14-8-,15-6-/t16-,18+/m0/s1
InChIKey: InChIKey=PYXDBFWTGFQZMF-KFRBSINHSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Rungeler P., Brecht V., Tamayo-Castillo G., Merfort I. Phytochemistry (2001) 56, 475-89
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 136.7 |
| 2 (CH2) | 23.8 |
| 3 (CH2) | 34 |
| 4 (C) | 138.4 |
| 5 (CH) | 128.7 |
| 6 (CH) | 78.4 |
| 7 (CH) | 47.8 |
| 8 (CH2) | 42.5 |
| 9 (C) | 202.6 |
| 10 (C) | 143.5 |
| 11 (C) | 137.7 |
| 12 (C) | 169.1 |
| 13 (CH2) | 119.9 |
| 14 (CH2) | 66.1 |
| 15 (CH2) | 60.5 |
| 15a (C) | 172.6 |
| 15b (CH2) | 43.3 |
| 15c (CH) | 25.7 |
| 15d (CH3) | 22.4 |
| 15e (CH3) | 22.4 |
