Spektraris NMR
3-O-deacetyl-9-O-acetylsalograviolide A
Common Name: 3-O-deacetyl-9-O-acetylsalograviolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O6/c1-6-10-5-11(19)7(2)12(10)16-13(8(3)17(21)23-16)14(20)15(6)22-9(4)18/h10-16,19-20H,1-3,5H2,4H3/t10-,11-,12-,13+,14+,15+,16+/m0/s1
InChIKey: InChIKey=DAUILYLMDJDJNB-WYVHVMBXSA-N
Formula: C17H20O6
Molecular Weight: 320.337755
Exact Mass: 320.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vajs, V., Todorovic, N., Ristic, M., Tesevic, V., Todorovic, B., Janackovic, P., Marin, P., Milosavljevic, S. Phytochemistry (1999) 52, 383-6
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 (CH) | 48.8 |
| 2 (CH2) | 38.1 |
| 3 (CH) | 73.6 |
| 4 (C) | 152 |
| 5 (CH) | 48.3 |
| 6 (CH) | 78.8 |
| 7 (CH) | 40.9 |
| 8 (CH) | 75.2 |
| 9 (CH) | 81 |
| 10 (C) | 143.8 |
| 11 (C) | 136.3 |
| 12 (C) | 170 |
| 13 (CH2) | 125.1 |
| 14 (CH2) | 113.6 |
| 15 (CH2) | 111.9 |
| 9a (C) | 169.6 |
| 9b (CH3) | 21.1 |
