Spektraris NMR
Annulatophenonoside
Common Name: Annulatophenonoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O10/c1-27-11-5-12(23)15(16(24)8-2-9(21)4-10(22)3-8)13(6-11)28-19-18(26)17(25)14(7-20)29-19/h2-6,14,17-23,25-26H,7H2,1H3/t14-,17-,18+,19+/m0/s1
InChIKey: InChIKey=DLVIWTXNNUETST-WQANXHIZSA-N
Formula: C19H20O10
Molecular Weight: 408.356846
Exact Mass: 408.105647
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Nedialkov, P.T., Kitanov, G.M. Phytochemistry (2002) 59, 867-71
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) | 109.41 |
| 2 (C) | 159.79 |
| 3 (CH) | 95.68 |
| 4 (C) | 166.29 |
| 5 (CH) | 96.13 |
| 6 (C) | 163.68 |
| 1' (C) | 144.34 |
| 2' (CH) | 108.35 |
| 3' (C) | 159.66 |
| 4' (CH) | 107.54 |
| 5' (C) | 159.66 |
| 6' (CH) | 108.35 |
| 7' (C) | 198.96 |
| 1'' (CH) | 108.25 |
| 2'' (CH) | 83.14 |
| 3'' (CH) | 78.44 |
| 4'' (CH) | 87.32 |
| 5'' (CH2) | 62.8 |
| 4a (CH3) | 56.63 |
