Spektraris NMR
9β-(3-Hydroxy-3-methylpentanoyloxy)parthenolide
Common Name: 9β-(3-Hydroxy-3-methylpentanoyloxy)parthenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O6/c1-6-20(4,24)11-16(22)25-15-10-14-13(3)19(23)26-17(14)18-21(5,27-18)9-7-8-12(15)2/h8,14-15,17-18,24H,3,6-7,9-11H2,1-2,4-5H3/b12-8+/t14-,15-,17-,18-,20?,21+/m0/s1
InChIKey: InChIKey=NXPRFOOHJTWPQI-DXWJAGGYSA-N
Formula: C21H30O6
Molecular Weight: 378.460106
Exact Mass: 378.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Harvala, E., Aligiannis, N., Skaltsounis, A.L., Pratsinis, H., Lambrinidis, G., Harvala, C., Chinou, I. J Nat Prod (2002) 65, 1045-8
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) | 128.1 |
| 2 (CH2) | 23.8 |
| 3 (CH2) | 35.9 |
| 4 (C) | 61.3 |
| 5 (CH) | 65.9 |
| 6 (CH) | 81.5 |
| 7 (CH) | 44 |
| 8 (CH2) | 36 |
| 9 (CH) | 81 |
| 10 (C) | 132.6 |
| 11 (C) | 137.9 |
| 12 (C) | 169 |
| 13 (CH2) | 122 |
| 14 (CH3) | 11.7 |
| 15 (CH3) | 17.3 |
| 9a (C) | 172 |
| 9b (CH2) | 44.4 |
| 9c (C) | 71 |
| 9d (CH2) | 26.2 |
| 9e (CH3) | 8.3 |
| 9ca (CH3) | 34.6 |
