Spektraris NMR
CHEMBL504852
Common Name: CHEMBL504852
Synonyms: CHEMBL504852
CAS Registry Number:
InChI: InChI=1S/C28H24O14/c29-9-19-24(37)26(39)28(42-20(35)4-2-10-1-3-12(30)13(31)5-10)27(41-19)21-16(34)8-18-22(25(21)38)23(36)11-6-14(32)15(33)7-17(11)40-18/h1-8,19,24,26-34,37-39H,9H2/b4-2+/t19-,24-,26+,27+,28-/m1/s1
InChIKey: InChIKey=KJGSFWHQWXCZRH-GIPHEDKVSA-N
Formula: C28H24O14
Molecular Weight: 584.482852
Exact Mass: 584.116605
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) | 162.8 |
| 2 (C) | 106 |
| 3 (C) | 165 |
| 4 (CH) | 95 |
| 4a (C) | 158.8 |
| 5 (CH) | 103.4 |
| 6 (C) | 155.3 |
| 7 (C) | 144.8 |
| 8 (CH) | 109.1 |
| 8a (C) | 113.6 |
| 9 (C) | 181.1 |
| 9a (C) | 102.9 |
| 10a (C) | 153 |
| 1' (CH) | 73.2 |
| 2' (CH) | 73.9 |
| 3' (CH) | 78 |
| 4' (CH) | 71.7 |
| 5' (CH) | 82.7 |
| 6' (CH2) | 62.8 |
| 2'a (C) | 168.3 |
| 2'b (CH) | 114.8 |
| 2'c (CH) | 146.5 |
| 2'd (C) | 127.6 |
| 2'e (CH) | 115 |
| 2'f (C) | 146.8 |
| 2'g (C) | 149.3 |
| 2'h (CH) | 116.3 |
| 2'i (CH) | 122.9 |
