Spektraris NMR
7α-Hydroxy-1-oxofrullanolide
Common Name: 7α-Hydroxy-1-oxofrullanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O4/c1-8-4-5-10(16)14(3)6-7-15(18)9(2)13(17)19-12(15)11(8)14/h12,18H,2,4-7H2,1,3H3/t12-,14-,15+/m0/s1
InChIKey: InChIKey=NRQBRNCAHRAJNT-AEGPPILISA-N
Formula: C15H18O4
Molecular Weight: 262.301592
Exact Mass: 262.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Aquil, S., Husaini, A.M., Abdin, M.Z., Rather, G.M. Planta Med (2009) 75, 1453-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (C) | 198.6 |
| 2 (CH2) | 43.2 |
| 3 (CH2) | 43 |
| 4 (C) | 126.6 |
| 5 (C) | 138.8 |
| 6 (CH) | 80.2 |
| 7 (C) | 75.6 |
| 8 (CH2) | 30 |
| 9 (CH2) | 35.3 |
| 10 (C) | 32.3 |
| 11 (C) | 144 |
| 12 (C) | 169.8 |
| 13 (CH2) | 121.1 |
| 14 (CH3) | 26.3 |
| 15 (CH3) | 19 |
