Spektraris NMR
CHEMBL466788
Common Name: CHEMBL466788
Synonyms: CHEMBL466788
CAS Registry Number:
InChI: InChI=1S/C28H24O12/c29-11-19-24(35)26(37)28(40-20(33)7-6-12-4-2-1-3-5-12)27(39-19)21-16(32)10-18-22(25(21)36)23(34)13-8-14(30)15(31)9-17(13)38-18/h1-10,19,24,26-32,35-37H,11H2/b7-6+/t19-,24-,26+,27+,28-/m1/s1
InChIKey: InChIKey=WSTDGCUXRJQNCC-WLAZBUHESA-N
Formula: C28H24O12
Molecular Weight: 552.484042
Exact Mass: 552.126776
NMR Solvent: DMSO-d6
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) | 161.7 |
| 2 (C) | 105.7 |
| 3 (C) | 163.9 |
| 4 (CH) | 93.9 |
| 4a (C) | 156.4 |
| 5 (CH) | 102.5 |
| 6 (C) | 154.3 |
| 7 (C) | 143.9 |
| 8 (CH) | 107.9 |
| 8a (C) | 111.5 |
| 9 (C) | 179.9 |
| 9a (C) | 102 |
| 10a (C) | 150.8 |
| 1' (CH) | 70.6 |
| 2' (CH) | 72.3 |
| 3' (CH) | 76.4 |
| 4' (CH) | 70.6 |
| 5' (CH) | 81.8 |
| 6' (CH2) | 61.4 |
| 2'a (C) | 164.9 |
| 2'b (CH) | 118.3 |
| 2'c (CH) | 143.9 |
| 2'd (C) | 133.9 |
| 2'e (CH) | 128.9 |
| 2'f (CH) | 128.2 |
| 2'g (CH) | 130.3 |
| 2'h (CH) | 128.2 |
| 2'i (CH) | 128.9 |
