Spektraris NMR
2b-D-Glucopyranosyloxy-4,6-dihydroxyisovalerophenone
Common Name: 2b-D-Glucopyranosyloxy-4,6-dihydroxyisovalerophenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O9/c1-7(2)3-9(20)13-10(21)4-8(19)5-11(13)25-17-16(24)15(23)14(22)12(6-18)26-17/h4-5,7,12,14-19,21-24H,3,6H2,1-2H3/t12-,14-,15+,16-,17-/m1/s1
InChIKey: InChIKey=SYVLRDXITUYNAK-USACIQFYSA-N
Formula: C17H24O9
Molecular Weight: 372.367733
Exact Mass: 372.142032
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Tsukamoto, S., Tomise, K., Aburatani, M., Onuki, H., Hirorta, H., Ishiharajima, E., Ohta, T. J Nat Prod (2004) 67, 1839-41
Species:
Notes: Family : Aromatics, Type : Phloroglucinols; 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) | 107.7 |
| 2 (C) | 162.9 |
| 3 (CH) | 96.4 |
| 4 (C) | 167.3 |
| 5 (CH) | 99.3 |
| 6 (C) | 168.4 |
| 1' (C) | 207.9 |
| 2' (CH2) | 54.9 |
| 3' (CH) | 27.1 |
| 4' (CH3) | 23.7 |
| 5' (CH3) | 24.2 |
| 1'' (CH) | 102.7 |
| 2'' (CH) | 75.7 |
| 3'' (CH) | 79.4 |
| 4'' (CH) | 72 |
| 5'' (CH) | 79.2 |
| 6'' (CH2) | 63.3 |
