Spektraris NMR
Hypericophenonoside
Common Name: Hypericophenonoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O11/c20-6-13-16(26)17(27)18(28)19(30-13)29-12-2-1-7(21)3-9(12)15(25)14-10(23)4-8(22)5-11(14)24/h1-5,13,16-24,26-28H,6H2/t13-,16-,17+,18-,19-/m1/s1
InChIKey: InChIKey=CLNBEVGRQDBTGN-LQDZTQBFSA-N
Formula: C19H20O11
Molecular Weight: 424.356251
Exact Mass: 424.100561
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Kitanov, G.M., Nedialkov, P.T. Phytochemistry (2001) 57, 1237-43
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) | 107.09 |
| 2 (C) | 165.86 |
| 3 (CH) | 96.48 |
| 4 (C) | 167.11 |
| 5 (CH) | 96.48 |
| 6 (C) | 165.86 |
| 1' (C) | 136.81 |
| 2' (C) | 148.66 |
| 3' (CH) | 119.95 |
| 4' (CH) | 118.31 |
| 5' (C) | 153.95 |
| 6' (CH) | 115.38 |
| 7' (C) | 199.46 |
| 1'' (CH) | 104.93 |
| 2'' (CH) | 75.51 |
| 3'' (CH) | 78.15 |
| 4'' (CH) | 71.83 |
| 5'' (CH) | 78.22 |
| 6'' (CH2) | 63.32 |
