Spektraris NMR
Iriflophenone 2-O-β-glucopyranoside
Common Name: Iriflophenone 2-O-β-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O10/c20-7-13-16(25)17(26)18(27)19(29-13)28-12-6-10(22)5-11(23)14(12)15(24)8-1-3-9(21)4-2-8/h1-6,13,16-23,25-27H,7H2/t13-,16-,17+,18-,19-/m1/s1
InChIKey: InChIKey=CAXCBJUGJMJBQI-LQDZTQBFSA-N
Formula: C19H20O10
Molecular Weight: 408.356846
Exact Mass: 408.105647
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ito, H., Nishitani, E., Konoshima, T., Takasaki, M., Kozuka, M., Yoshida, T. Phytochemistry (2000) 54, 695-700
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) | 124.4 |
| 2 (CH) | 133.5 |
| 3 (CH) | 115.8 |
| 4 (C) | 163.6 |
| 5 (CH) | 115.8 |
| 6 (CH) | 133.5 |
| 1' (C) | 99.8 |
| 2' (C) | 158.7 |
| 3' (CH) | 95.9 |
| 4' (C) | 162.4 |
| 5' (CH) | 98.1 |
| 6' (C) | 159.7 |
| 7' (C) | 197.5 |
| 1'' (CH) | 102.4 |
| 2'' (CH) | 74.7 |
| 3'' (CH) | 77.8 |
| 4'' (CH) | 71.1 |
| 5'' (CH) | 78.2 |
| 6'' (CH2) | 62.5 |
