Spektraris NMR
Achillolide B
Common Name: Achillolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O7/c1-10-5-6-14-15(9-20)19(23)26-18(14)7-11(2)17(25-13(4)22)8-16(10)24-12(3)21/h7,16-18,20H,1,5-6,8-9H2,2-4H3/b11-7+/t16-,17+,18-/m1/s1
InChIKey: InChIKey=LCRDWOLDJDBCIK-DRBQWCDHSA-N
Formula: C19H24O7
Molecular Weight: 364.390395
Exact Mass: 364.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Segal, R., Dor, A., Duddeck, H., Snatzke, G., Rosenbaum, D., Kajtar, M. Tetrahedron (1987) 43, 4125-32
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) | 75.1 |
| 2 (CH2) | 37 |
| 3 (CH) | 74.8 |
| 4 (C) | 137.9 |
| 5 (CH) | 123.1 |
| 6 (CH) | 79.2 |
| 7 (C) | 167.7 |
| 8 (CH2) | 27 |
| 9 (CH2) | 24.5 |
| 10 (C) | 149.5 |
| 11 (C) | 123.2 |
| 12 (C) | 172.2 |
| 13 (CH2) | 54.8 |
| 14 (CH2) | 114.1 |
| 15 (CH3) | 11.2 |
| 1a (C) | 169.7 |
| 1b (CH3) | 20.5 |
| 3a (C) | 170.5 |
| 3b (CH3) | 20.9 |
