Spektraris NMR
Xanthone X
Common Name: Xanthone X
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O16/c1-10-19(31)22(34)24(36)28(41-10)45-27-23(35)21(33)17(9-30)44-29(27)43-14-7-12-11(6-13(14)37-2)20(32)18-15(42-12)8-16(38-3)25(39-4)26(18)40-5/h6-8,10,17,19,21-24,27-31,33-36H,9H2,1-5H3/t10-,17+,19-,21+,22+,23-,24+,27+,28-,29+/m0/s1
InChIKey: InChIKey=XLIRDJZRGNDSCS-ZACDIBKKSA-N
Formula: C29H36O16
Molecular Weight: 640.587687
Exact Mass: 640.200335
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) | 152.6 |
| 2 (C) | 139.1 |
| 3 (C) | 158.1 |
| 4 (CH) | 96.7 |
| 4a (C) | 154 |
| 5 (CH) | 102.5 |
| 6 (C) | 151.6 |
| 7 (C) | 146.7 |
| 8 (CH) | 105.1 |
| 8a (C) | 115.4 |
| 9 (C) | 172.9 |
| 9a (C) | 109.5 |
| 10a (C) | 149.9 |
| 1' (CH) | 97.5 |
| 2' (CH) | 75.1 |
| 3' (CH) | 77.1 |
| 4' (CH) | 69.7 |
| 5' (CH) | 77.6 |
| 6' (CH2) | 60.5 |
| 1'' (CH) | 99.9 |
| 2'' (CH) | 70.4 |
| 3'' (CH) | 70.6 |
| 4'' (CH) | 71.9 |
| 5'' (CH) | 68.5 |
| 6'' (CH3) | 18.1 |
| 1a (CH3) | 61.8 |
| 2a (CH3) | 56.5 |
| 3a (CH3) | 61 |
| 7a (CH3) | 55.7 |
