Spektraris NMR
1,3,8-trihydroxy-2,4-dimethoxy-xanthen-9-one
Common Name: 1,3,8-trihydroxy-2,4-dimethoxy-xanthen-9-one
Synonyms: 1,3,8-trihydroxy-2,4-dimethoxy-xanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C15H12O7/c1-20-14-11(18)9-10(17)8-6(16)4-3-5-7(8)22-13(9)15(21-2)12(14)19/h3-5,16,18-19H,1-2H3
InChIKey: InChIKey=ISYRSHCFJHQXRU-UHFFFAOYSA-N
Formula: C15H12O7
Molecular Weight: 304.252162
Exact Mass: 304.058303
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reutrakul, V., Chanakul, W., Pohmakotr, M., Jaipetch, T., Yoosook, C., Kasisit, J., Napaswat, C., Santisuk, T., Prabpai, S., Kongsaeree, P., Tuchinda, P. Planta Med (2006) 72, 1433-5
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) | 149.4 |
| 2 (C) | 130.1 |
| 3 (C) | 150.9 |
| 4 (C) | 127.2 |
| 4a (C) | 145.6 |
| 5 (CH) | 107.2 |
| 6 (CH) | 136.2 |
| 7 (CH) | 111 |
| 8 (C) | 161.3 |
| 8a (C) | 107.2 |
| 9 (C) | 185.2 |
| 9a (C) | 101.7 |
| 10a (C) | 155.9 |
| 1' (CH3) | 61.9 |
| 2a (CH3) | 61.1 |
