Spektraris NMR
1,3,6-Trihydroxy-2,5,7-trimethoxy-9H-xanthene-9-one
Common Name: 1,3,6-Trihydroxy-2,5,7-trimethoxy-9H-xanthene-9-one
Synonyms: 1,3,6-Trihydroxy-2,5,7-trimethoxy-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C16H14O8/c1-21-9-4-6-11(18)10-8(5-7(17)15(22-2)13(10)20)24-14(6)16(23-3)12(9)19/h4-5,17,19-20H,1-3H3
InChIKey: InChIKey=XOXCTCULZLSFIP-UHFFFAOYSA-N
Formula: C16H14O8
Molecular Weight: 334.278184
Exact Mass: 334.068867
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Fang, J.J., Ye, G., Chen, W.L., Zhao, W.M. Phytochemistry (2008) 69, 1279-86
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) | 153.6 |
| 2 (C) | 130.6 |
| 3 (C) | 158 |
| 4 (CH) | 94.1 |
| 4a (C) | 152.3 |
| 5 (C) | 134.9 |
| 6 (C) | 147 |
| 7 (C) | 146.1 |
| 8 (CH) | 99.4 |
| 8a (C) | 110.9 |
| 9 (C) | 179.3 |
| 9a (C) | 101.9 |
| 10a (C) | 145.9 |
| 2a (CH3) | 60.1 |
| 5a (CH3) | 61 |
| 7a (CH3) | 56 |
