Spektraris NMR
Allanxanthone A
Common Name: Allanxanthone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O5/c1-6-23(4,5)17-20(27)13(11-10-12(2)3)18(25)16-19(26)14-8-7-9-15(24)21(14)28-22(16)17/h6-10,24-25,27H,1,11H2,2-5H3
InChIKey: InChIKey=OXZMCBZLVUVQJT-UHFFFAOYSA-N
Formula: C23H24O5
Molecular Weight: 380.434528
Exact Mass: 380.162374
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Nkengfack, A.E., Azebaze, G.A., Vardamides, J.C., Fomum, Z.T., van Heerden, F.R. Phytochemistry (2002) 60, 381-4
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 |
| 2 (C) | 112.1 |
| 3 (C) | 159 |
| 4 (C) | 111.9 |
| 4a (C) | 144.2 |
| 5 (C) | 152 |
| 6 (CH) | 120.7 |
| 7 (CH) | 124.6 |
| 8 (CH) | 116 |
| 8a (C) | 122 |
| 9 (C) | 182 |
| 9a (C) | 108 |
| 10a (C) | 147.3 |
| 1' (CH2) | 112.4 |
| 2' (CH) | 151.2 |
| 3' (C) | 42 |
| 4' (CH3) | 28.5 |
| 5' (CH3) | 28.5 |
| 2a (CH2) | 22.3 |
| 2b (CH) | 123.1 |
| 2c (C) | 134.1 |
| 2d (CH3) | 25.8 |
| 2e (CH3) | 17.9 |
