Spektraris NMR
Salvianonol, 4-(1-hydroxy-5-methylnaphthalen-2-yl)-2-methyl-4-oxobutyl acetate
Common Name: Salvianonol, 4-(1-hydroxy-5-methylnaphthalen-2-yl)-2-methyl-4-oxobutyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H20O4/c1-11(10-22-13(3)19)9-17(20)16-8-7-14-12(2)5-4-6-15(14)18(16)21/h4-8,11,21H,9-10H2,1-3H3
InChIKey: InChIKey=IEAVPUOPDGFUOO-UHFFFAOYSA-N
Formula: C18H20O4
Molecular Weight: 300.349681
Exact Mass: 300.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Don, M.J., Shen, C.C., Syu, W.J., Ding, Y.H., Sun, C.M. Phytochemistry (2006) 67, 497-503
Species:
Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthalenes; 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) | 122.5 |
| 2 (CH) | 125.7 |
| 3 (CH) | 130.9 |
| 4 (C) | 134 |
| 5 (CH) | 114.7 |
| 6 (CH) | 123.9 |
| 7 (C) | 112.8 |
| 8 (C) | 163 |
| 9 (C) | 125.5 |
| 10 (C) | 136.4 |
| 4a (CH3) | 19.5 |
| 7a (C) | 205.1 |
| 7b (CH2) | 42.2 |
| 7c (CH) | 29.7 |
| 7d (CH2) | 68.6 |
| 7e (C) | 171 |
| 7f (CH3) | 20.8 |
| 7ca (CH3) | 17.1 |
