Spektraris NMR
2,3,4',5,6-Pentahydroxy-4-beta-D-glucopyranosylbenzophenone
Common Name: 2,3,4',5,6-Pentahydroxy-4-beta-D-glucopyranosylbenzophenone
Synonyms: 2,3,4',5,6-Pentahydroxy-4-beta-D-glucopyranosylbenzophenone
CAS Registry Number:
InChI: InChI=1S/C19H20O11/c20-5-8-12(23)17(28)18(29)19(30-8)10-15(26)13(24)9(14(25)16(10)27)11(22)6-1-3-7(21)4-2-6/h1-4,8,12,17-21,23-29H,5H2/t8-,12-,17+,18-,19+/m1/s1
InChIKey: InChIKey=SKRIRYCDGPUUHY-LAWIEJEXSA-N
Formula: C19H20O11
Molecular Weight: 424.356251
Exact Mass: 424.100561
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ferrari, J., Terreaux, C., Sahpaz, S., Msonthi, J.D., Wolfender, J.L., Hostettmann, K. Phytochemistry (2000) 54, 883-9
Species:
Notes: Family : Aromatics, Type : Benzophenones; 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) | 133.18 |
| 2 (CH) | 132.83 |
| 3 (CH) | 115.43 |
| 4 (C) | 161.24 |
| 5 (CH) | 115.43 |
| 6 (CH) | 132.83 |
| 1' (C) | 107.22 |
| 2' (C) | 162.78 |
| 3' (C) | 160.77 |
| 4' (C) | 104.56 |
| 5' (C) | 160.77 |
| 6' (C) | 162.78 |
| 7' (C) | 198.91 |
| 1'' (CH) | 76.48 |
| 2'' (CH) | 73.6 |
| 3'' (CH) | 79.81 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 82.49 |
| 6'' (CH2) | 62.41 |
