Spektraris NMR
9H-Xanthen-9-one, 3-hydroxy-2,4-dimethoxy-
Common Name: 9H-Xanthen-9-one, 3-hydroxy-2,4-dimethoxy-
Synonyms: 9H-Xanthen-9-one, 3-hydroxy-2,4-dimethoxy-
CAS Registry Number:
InChI: InChI=1S/C15H12O5/c1-18-11-7-9-12(16)8-5-3-4-6-10(8)20-14(9)15(19-2)13(11)17/h3-7,17H,1-2H3
InChIKey: InChIKey=DQAQTPIWHUEPAU-UHFFFAOYSA-N
Formula: C15H12O5
Molecular Weight: 272.253352
Exact Mass: 272.068473
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Takaishi, Y. Phytochemistry (2006) 67, 2146-51
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 (CH) | 101.1 |
| 2 (C) | 147.3 |
| 3 (C) | 148.9 |
| 4 (C) | 136.3 |
| 4a (C) | 147.1 |
| 5 (CH) | 118.3 |
| 6 (CH) | 134.2 |
| 7 (CH) | 124 |
| 8 (CH) | 126.6 |
| 8a (C) | 122 |
| 9 (C) | 175.7 |
| 9a (C) | 113.9 |
| 10a (C) | 156.3 |
| 1' (CH3) | 61.1 |
| 2a (CH3) | 56 |
