Spektraris NMR
1,2,6-Trihydroxy-5-methoxy-7-(3-methyl-2-butenyl)xanthone
Common Name: 1,2,6-Trihydroxy-5-methoxy-7-(3-methyl-2-butenyl)xanthone
Synonyms: 1,2,6-Trihydroxy-5-methoxy-7-(3-methyl-2-butenyl)xanthone
CAS Registry Number:
InChI: InChI=1S/C19H18O6/c1-9(2)4-5-10-8-11-16(22)14-13(7-6-12(20)17(14)23)25-18(11)19(24-3)15(10)21/h4,6-8,20-21,23H,5H2,1-3H3
InChIKey: InChIKey=SABIIYLLDNDAHN-UHFFFAOYSA-N
Formula: C19H18O6
Molecular Weight: 342.343345
Exact Mass: 342.110338
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chanmahasathien, W., Li, Y., Satake, M., Oshima, Y., Ruangrungsi, N., Ohizumi, Y. Phytochemistry (2003) 64, 981-6
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) | 146.4 |
| 2 (C) | 139.4 |
| 3 (CH) | 124.8 |
| 4 (CH) | 110.6 |
| 4a (C) | 155.6 |
| 5 (C) | 136.2 |
| 6 (C) | 157.1 |
| 7 (C) | 129.1 |
| 8 (CH) | 121.6 |
| 8a (C) | 115.1 |
| 9 (C) | 183.5 |
| 9a (C) | 110.5 |
| 10a (C) | 151.3 |
| 1' (CH2) | 29.9 |
| 2' (CH) | 123.4 |
| 3' (C) | 135.1 |
| 4' (CH3) | 18.7 |
| 5' (CH3) | 26.8 |
| 5a (CH3) | 62.8 |
