Spektraris NMR
Parthenolide
Common Name: Parthenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1
InChIKey: InChIKey=KTEXNACQROZXEV-SLXBATTESA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wong, H.F., Brown, G.D. Phytochemistry (2002) 59, 529-36
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) | 125.3 |
| 2 (CH2) | 24.1 |
| 3 (CH2) | 36.4 |
| 4 (C) | 61.5 |
| 5 (CH) | 66.4 |
| 6 (CH) | 82.5 |
| 7 (CH) | 47.7 |
| 8 (CH2) | 30.6 |
| 9 (CH2) | 41.2 |
| 10 (C) | 134.6 |
| 11 (C) | 139.2 |
| 12 (C) | 169.3 |
| 13 (CH2) | 121.3 |
| 14 (CH3) | 17 |
| 15 (CH3) | 17.3 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.