Spektraris NMR
CHEMBL499543
Common Name: CHEMBL499543
Synonyms: CHEMBL499543
CAS Registry Number:
InChI: InChI=1S/C28H24O13/c29-10-19-24(36)26(38)28(41-20(34)6-3-11-1-4-12(30)5-2-11)27(40-19)21-16(33)9-18-22(25(21)37)23(35)13-7-14(31)15(32)8-17(13)39-18/h1-9,19,24,26-33,36-38H,10H2/b6-3+/t19-,24-,26+,27+,28-/m1/s1
InChIKey: InChIKey=IEOFCWJJHJJKMH-CUZKZROISA-N
Formula: C28H24O13
Molecular Weight: 568.483447
Exact Mass: 568.121691
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Pauletti, P.M., Castro-Gamboa, I., Siqueira Silva, D.H., Young, M.C., Tomazela, D.M., Eberlin, M.N., da Silva Bolzani, V. J Nat Prod (2003) 66, 1384-7
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 162.6 |
| 2 (C) | 106.7 |
| 3 (C) | 165 |
| 4 (CH) | 94 |
| 4a (C) | 158.7 |
| 5 (CH) | 103.4 |
| 6 (C) | 155.6 |
| 7 (C) | 144.8 |
| 8 (CH) | 108.8 |
| 8a (C) | 113.4 |
| 9 (C) | 181 |
| 9a (C) | 102.8 |
| 10a (C) | 153 |
| 1' (CH) | 73.1 |
| 2' (CH) | 73.8 |
| 3' (CH) | 78 |
| 4' (CH) | 71.7 |
| 5' (CH) | 82.7 |
| 6' (CH2) | 62.7 |
| 2'a (C) | 168.3 |
| 2'b (CH) | 115 |
| 2'c (CH) | 146.4 |
| 2'd (C) | 127.1 |
| 2'e (CH) | 131 |
| 2'f (CH) | 116.6 |
| 2'g (C) | 161 |
| 2'h (CH) | 116.6 |
| 2'i (CH) | 131 |
