Spektraris NMR
Xanthofulvin
Common Name: Xanthofulvin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H18O14/c1-7-9(21(32)11-6-41-14-4-12(30)24(35)19(27(37)38)17(14)23(11)34)3-10-22(33)18-15(42-26(10)16(7)8(2)29)5-13(31)25(36)20(18)28(39)40/h3-5,30-32,35-36H,6H2,1-2H3,(H,37,38)(H,39,40)/b21-11-
InChIKey: InChIKey=VZJACTNXARYXEM-NHDPSOOVSA-N
Formula: C28H18O14
Molecular Weight: 578.435208
Exact Mass: 578.069655
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kumagai, K., Hosotani, N., Kikuchi, K., Kimura, T., Saji, I. J Antibiot (2003) 56, 610-6
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) | 120.6 |
| 2 (C) | 140.7 |
| 3 (C) | 153.8 |
| 4 (CH) | 102.3 |
| 4a (C) | 150.2 |
| 5 (C) | 132.4 |
| 6 (C) | 138.1 |
| 7 (C) | 129.9 |
| 8 (CH) | 125.8 |
| 8a (C) | 118.5 |
| 9 (C) | 172.8 |
| 9a (C) | 110.1 |
| 10a (C) | 152.2 |
| 1' (C) | 167.5 |
| 1'' (C) | 202.7 |
| 2'' (CH3) | 32.4 |
| 1''' (CH3) | 16.5 |
| 2'''' (CH2) | 65.7 |
| 3'''' (C) | 104.2 |
| 4'''' (C) | 183.7 |
| 5'''' (C) | 120.6 |
| 6'''' (C) | 137.6 |
| 7'''' (C) | 154.5 |
| 8'''' (CH) | 102.3 |
| 9'''' (C) | 172.7 |
| 4''''a (C) | 110.1 |
| 5''''a (C) | 167.5 |
| 8''''a (C) | 156.3 |
