Spektraris NMR
1,3-Dihydroxy-5-O-b-D-glucopyranosylxanthone-4-sulfonate
Common Name: 1,3-Dihydroxy-5-O-b-D-glucopyranosylxanthone-4-sulfonate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O13S/c20-5-10-13(24)14(25)15(26)19(31-10)30-9-3-1-2-6-12(23)11-7(21)4-8(22)18(33(27,28)29)17(11)32-16(6)9/h1-4,10,13-15,19-22,24-26H,5H2,(H,27,28,29)/t10-,13-,14+,15-,19-/m1/s1
InChIKey: InChIKey=PTYSSAGSVAYSDY-XFRIUUDKSA-N
Formula: C19H18O13S1
Molecular Weight: 486.405264
Exact Mass: 486.046811
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Hong, D., Yin, F., Hu, L.H., Lu, P. Phytochemistry (2004) 65, 2595-8
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) | 162.6 |
| 2 (CH) | 98.2 |
| 3 (C) | 162.2 |
| 4 (C) | 110 |
| 4a (C) | 154 |
| 5 (C) | 146.6 |
| 6 (CH) | 122.8 |
| 7 (CH) | 124.5 |
| 8 (CH) | 118 |
| 8a (C) | 120.3 |
| 9 (C) | 179.9 |
| 9a (C) | 102.1 |
| 10a (C) | 146.1 |
| 1' (CH) | 104 |
| 2' (CH) | 73.9 |
| 3' (CH) | 75.3 |
| 4' (CH) | 69.8 |
| 5' (CH) | 77.4 |
| 6' (CH2) | 60.9 |
