Spektraris NMR
1,3,6-Trihydroxy-2,5-dimethoxy-xanthen-9-one
Common Name: 1,3,6-Trihydroxy-2,5-dimethoxy-xanthen-9-one
Synonyms: 1,3,6-Trihydroxy-2,5-dimethoxy-xanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C15H12O7/c1-20-14-8(17)5-9-10(12(14)19)11(18)6-3-4-7(16)15(21-2)13(6)22-9/h3-5,16-17,19H,1-2H3
InChIKey: InChIKey=YAPFVXIBUYNNQM-UHFFFAOYSA-N
Formula: C15H12O7
Molecular Weight: 304.252162
Exact Mass: 304.058303
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Yang, X.D., Xu, L.Z., Yang, S.L. Phytochemistry (2001) 58, 1245-9
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) | 153.9 |
| 2 (C) | 130.6 |
| 3 (C) | 158.4 |
| 4 (CH) | 94.1 |
| 4a (C) | 152.1 |
| 5 (C) | 134.2 |
| 6 (C) | 156.5 |
| 7 (CH) | 120.4 |
| 8 (CH) | 113.8 |
| 8a (C) | 112.5 |
| 9 (C) | 179.3 |
| 9a (C) | 101.4 |
| 10a (C) | 150.2 |
| 1' (CH3) | 60.6 |
| 1'' (CH3) | 59.8 |
