Spektraris NMR
Xanthone VIII
Common Name: Xanthone VIII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O15/c1-36-12-2-7-11(3-8(12)26)39-13-4-9(27)15(20(32)16(13)17(7)29)24-22(34)21(33)19(31)14(40-24)6-38-25-23(35)18(30)10(28)5-37-25/h2-4,10,14,18-19,21-28,30-35H,5-6H2,1H3/t10-,14-,18-,19-,21+,22-,23+,24+,25+/m1/s1
InChIKey: InChIKey=LUHUIQDQHQSWAC-DEKJNTHCSA-N
Formula: C25H28O15
Molecular Weight: 568.481812
Exact Mass: 568.14282
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Jiang, Y., Zhang, W., Tu, P., Xu, X. J Nat Prod (2005) 68, 875-9
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) | 107.8 |
| 3 (C) | 163.9 |
| 4 (CH) | 93.4 |
| 4a (C) | 156.2 |
| 5 (CH) | 102.8 |
| 6 (C) | 154.7 |
| 7 (C) | 146.1 |
| 8 (CH) | 104.8 |
| 8a (C) | 111.4 |
| 9 (C) | 179 |
| 9a (C) | 101.3 |
| 10a (C) | 151.7 |
| 1' (CH) | 73 |
| 2' (CH) | 70 |
| 3' (CH) | 78.9 |
| 4' (CH) | 70.8 |
| 5' (CH) | 79.8 |
| 6' (CH2) | 69 |
| 1'' (CH) | 103.3 |
| 2'' (CH) | 70.3 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 67.3 |
| 5'' (CH2) | 64.9 |
| 7a (CH3) | 55.9 |
