Spektraris NMR
Isogentisin
Common Name: Isogentisin
Synonyms: Isogentisin
CAS Registry Number:
InChI: InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3
InChIKey: InChIKey=FVIYCYAHKMJVJK-UHFFFAOYSA-N
Formula: C14H10O5
Molecular Weight: 258.226735
Exact Mass: 258.052823
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pinheiro, T.R., Cechinel, V., Santos, A.R.S., Calixto, J.B., Monache, F.D., Pizzolatti, M.G., Yunes, R.A. Phytochemistry (1998) 48, 725-8
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 164.5 |
| 2 (CH) | 99.3 |
| 3 (C) | 167.5 |
| 4 (CH) | 94.9 |
| 4a (C) | 158.6 |
| 5 (CH) | 119.4 |
| 6 (CH) | 124.7 |
| 7 (C) | 156.4 |
| 8 (CH) | 106.1 |
| 8a (C) | 121.4 |
| 9 (C) | 180.7 |
| 9a (C) | 103.3 |
| 10a (C) | 151 |
| 7a (CH3) | 55.8 |
