Spektraris NMR
cis-Parthenolid-9-one
Common Name: cis-Parthenolid-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10,12-13H,2,4,6-7H2,1,3H3/b8-5-/t10-,12-,13-,15+/m0/s1
InChIKey: InChIKey=MZDVWXBIIWIBTB-NGFBGBQSSA-N
Formula: C15H18O4
Molecular Weight: 262.301592
Exact Mass: 262.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abdel-Sattar, E., McPhail, A.T. J Nat Prod (2000) 63, 1587-9
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) | 135.47 |
| 2 (CH2) | 22.46 |
| 3 (CH2) | 36.62 |
| 4 (C) | 59.57 |
| 5 (CH) | 62.7 |
| 6 (CH) | 81.21 |
| 7 (CH) | 41.14 |
| 8 (CH2) | 42.56 |
| 9 (C) | 203.49 |
| 10 (C) | 136.89 |
| 11 (C) | 138.07 |
| 12 (C) | 168.38 |
| 13 (CH2) | 120.41 |
| 14 (CH3) | 20.72 |
| 15 (CH3) | 17.53 |
