Spektraris NMR
CHEMBL469863
Common Name: CHEMBL469863
Synonyms: CHEMBL469863
CAS Registry Number:
InChI: InChI=1S/C23H24O10/c1-29-12-5-3-11(4-6-12)14-9-18(25)31-15-7-13(30-2)8-16(19(14)15)32-23-22(28)21(27)20(26)17(10-24)33-23/h3-9,17,20-24,26-28H,10H2,1-2H3/t17-,20+,21+,22-,23-/m1/s1
InChIKey: InChIKey=LQWQTQBLAULEDT-SUHOFRIBSA-N
Formula: C23H24O10
Molecular Weight: 460.431553
Exact Mass: 460.136947
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Mata R., Calzada F., Garcia M.R. J Nat Prod (1988) 51, 851
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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 |
|---|---|
| 2 (C) | 160 |
| 3 (CH) | 112.31 |
| 4 (C) | 156.35 |
| 5 (C) | 155.54 |
| 6 (CH) | 98.36 |
| 7 (C) | 162.69 |
| 8 (CH) | 95.14 |
| 9 (C) | 155.97 |
| 10 (C) | 103.26 |
| 1' (C) | 129.8 |
| 2' (CH) | 129.37 |
| 3' (CH) | 114.2 |
| 4' (C) | 157.6 |
| 5' (CH) | 114.2 |
| 6' (CH) | 129.37 |
| 5a (CH) | 100.9 |
| 5b (CH) | 69.78 |
| 5c (CH) | 73.3 |
| 5d (CH) | 68.05 |
| 5e (CH) | 75.85 |
| 5f (CH2) | 60.46 |
| 7a (CH3) | 55.91 |
| 4'a (CH3) | 55.91 |
