Spektraris NMR
9β-(3-Hydroxyisovaleryloxy)parthenolide
Common Name: 9β-(3-Hydroxyisovaleryloxy)parthenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-11-7-6-8-20(5)17(26-20)16-13(12(2)18(22)25-16)9-14(11)24-15(21)10-19(3,4)23/h7,13-14,16-17,23H,2,6,8-10H2,1,3-5H3/b11-7+/t13-,14-,16-,17-,20+/m0/s1
InChIKey: InChIKey=JQVNVUPVYVJHBR-XAEPYKNNSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
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) | 128.2 |
| 2 (CH2) | 23.8 |
| 3 (CH2) | 36 |
| 4 (C) | 62 |
| 5 (CH) | 65.9 |
| 6 (CH) | 81.5 |
| 7 (CH) | 44 |
| 8 (CH2) | 35.9 |
| 9 (CH) | 81 |
| 10 (C) | 132.6 |
| 11 (C) | 137.8 |
| 12 (C) | 168.8 |
| 13 (CH2) | 122.1 |
| 14 (CH3) | 11.7 |
| 15 (CH3) | 17.3 |
| 9a (C) | 171.9 |
| 9b (CH2) | 46.4 |
| 9c (C) | 69.1 |
| 9d (CH3) | 29.7 |
| 9ca (CH3) | 29.7 |
