Spektraris NMR
4-(beta-D-Glucopyranosyl)-7-methoxy-1,3,6-trihydroxy-9H-xanthene-9-one
Common Name: 4-(beta-D-Glucopyranosyl)-7-methoxy-1,3,6-trihydroxy-9H-xanthene-9-one
Synonyms: 4-(beta-D-Glucopyranosyl)-7-methoxy-1,3,6-trihydroxy-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C20H20O11/c1-29-11-2-6-10(4-7(11)22)30-19-13(15(6)25)8(23)3-9(24)14(19)20-18(28)17(27)16(26)12(5-21)31-20/h2-4,12,16-18,20-24,26-28H,5H2,1H3/t12-,16-,17+,18-,20+/m1/s1
InChIKey: InChIKey=HSTHXNBLPLPLCE-IFPLRMGXSA-N
Formula: C20H20O11
Molecular Weight: 436.366987
Exact Mass: 436.100561
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ikeya, Y., Sugama, K., Maruno, M. Chem Pharm Bull (1994) 42, 2305-8
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) | 163.3 |
| 2 (CH) | 95.1 |
| 3 (C) | 167.5 |
| 4 (C) | 109.1 |
| 4a (C) | 157.8 |
| 5 (CH) | 103.7 |
| 6 (C) | 153.2 |
| 7 (C) | 147 |
| 8 (CH) | 105.6 |
| 8a (C) | 112.4 |
| 9 (C) | 179.7 |
| 9a (C) | 102.2 |
| 10a (C) | 156.7 |
| 1' (CH) | 75.8 |
| 2' (CH) | 72.7 |
| 3' (CH) | 80.8 |
| 4' (CH) | 71.8 |
| 5' (CH) | 82.8 |
| 6' (CH2) | 62.5 |
| 7a (CH3) | 56 |
