Spektraris NMR
9a-Acetoxyartecanin
Common Name: 9a-Acetoxyartecanin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O7/c1-6-8-5-9(21-7(2)18)16(4,20)17-11(10(8)22-14(6)19)15(3)12(23-15)13(17)24-17/h8-13,20H,1,5H2,2-4H3/t8-,9+,10-,11-,12-,13+,15+,16+,17-/m0/s1
InChIKey: InChIKey=WDDXTILZUUVECD-BJVHOVFPSA-N
Formula: C17H20O7
Molecular Weight: 336.33716
Exact Mass: 336.120903
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Trifunovic, S., Vajs, V., Juranic, Z., Zizak, Z., Tesevic, V., Macura, S., Milosavljevic, S. Phytochemistry (2006) 67, 887-93
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 75.7 |
| 2 (CH) | 56.5 |
| 3 (CH) | 57.2 |
| 4 (C) | 71.1 |
| 5 (CH) | 42.3 |
| 6 (CH) | 82.1 |
| 7 (CH) | 40.7 |
| 8 (CH2) | 31 |
| 9 (CH) | 73.8 |
| 10 (C) | 72.4 |
| 11 (C) | 138.5 |
| 12 (C) | 169.5 |
| 13 (CH2) | 119.1 |
| 14 (CH3) | 24.6 |
| 15 (CH3) | 19.4 |
| 9a (C) | 170 |
| 9b (CH3) | 21.2 |
