Spektraris NMR
Allanxanthone B
Common Name: Allanxanthone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O6/c1-15(2)7-6-8-16(3)9-10-17-19(29)13-22-24(25(17)31)26(32)23-18-11-12-28(4,5)34-27(18)20(30)14-21(23)33-22/h7,9,11-14,29-31H,6,8,10H2,1-5H3/b16-9+
InChIKey: InChIKey=VXBRNANXWNQRCY-CXUHLZMHSA-N
Formula: C28H30O6
Molecular Weight: 462.535257
Exact Mass: 462.204239
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Azebaze, A.G., Meyer, M., Bodo, B., Nkengfack, A.E. Phytochemistry (2004) 65, 2561-4
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) | 161.5 |
| 2 (C) | 111 |
| 3 (C) | 163 |
| 4 (CH) | 93 |
| 4a (C) | 156.2 |
| 5 (CH) | 102.1 |
| 6 (C) | 158.2 |
| 7 (C) | 144.1 |
| 8 (C) | 109.1 |
| 8a (C) | 119.2 |
| 9 (C) | 181.5 |
| 9a (C) | 103 |
| 10a (C) | 153.5 |
| 1' (CH2) | 22 |
| 2' (CH) | 123.1 |
| 3' (C) | 135.2 |
| 4' (CH2) | 39.7 |
| 5' (CH2) | 26.5 |
| 6' (CH) | 124.1 |
| 7' (C) | 131.3 |
| 8' (CH3) | 17.7 |
| 9' (CH3) | 25.6 |
| 10' (CH3) | 16.4 |
| 1'' (CH) | 131.8 |
| 2'' (CH) | 122 |
| 3'' (C) | 79.5 |
| 4'' (CH3) | 30.1 |
| 5'' (CH3) | 30.1 |
