Spektraris NMR
CHEMBL466996
Common Name: CHEMBL466996
Synonyms: CHEMBL466996
CAS Registry Number:
InChI: InChI=1S/C26H22O12/c27-9-17-21(32)23(34)25(38-26(35)10-4-2-1-3-5-10)24(37-17)18-14(30)8-16-19(22(18)33)20(31)11-6-12(28)13(29)7-15(11)36-16/h1-8,17,21,23-25,27-30,32-34H,9H2/t17-,21-,23+,24+,25-/m1/s1
InChIKey: InChIKey=AVPLATUJXHPZBU-FUFTYFEXSA-N
Formula: C26H22O12
Molecular Weight: 526.446689
Exact Mass: 526.111126
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) | 161.8 |
| 2 (C) | 105.6 |
| 3 (C) | 163.7 |
| 4 (CH) | 93 |
| 4a (C) | 156.4 |
| 5 (CH) | 102.5 |
| 6 (C) | 154.4 |
| 7 (C) | 143.9 |
| 8 (CH) | 107.8 |
| 8a (C) | 111.5 |
| 9 (C) | 179.1 |
| 9a (C) | 102.5 |
| 10a (C) | 150.8 |
| 1' (CH) | 70.6 |
| 2' (CH) | 72.8 |
| 3' (CH) | 76.4 |
| 4' (CH) | 70.6 |
| 5' (CH) | 81.9 |
| 6' (CH2) | 61.5 |
| 2'a (C) | 164.7 |
| 2'b (C) | 129 |
| 2'c (CH) | 130.2 |
| 2'd (CH) | 129 |
| 2'e (CH) | 128.5 |
| 2'f (CH) | 133 |
| 2'g (CH) | 128.5 |
