Spektraris NMR
Vinaxanthone
Common Name: Vinaxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H16O14/c1-7(29)9-3-10-23(34)20-16(6-13(33)25(36)22(20)28(39)40)42-26(10)17(8(2)30)18(9)14-4-11(31)19-15(41-14)5-12(32)24(35)21(19)27(37)38/h3-6,32-33,35-36H,1-2H3,(H,37,38)(H,39,40)
InChIKey: InChIKey=YLANVFZDNRPBNB-UHFFFAOYSA-N
Formula: C28H16O14
Molecular Weight: 576.419326
Exact Mass: 576.054005
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) | 119.6 |
| 2 (C) | 141.2 |
| 3 (C) | 154.5 |
| 4 (CH) | 102.3 |
| 4a (C) | 150.4 |
| 5 (C) | 133.4 |
| 6 (C) | 132.5 |
| 7 (C) | 136.2 |
| 8 (CH) | 126.3 |
| 8a (C) | 120.3 |
| 9 (C) | 172.5 |
| 9a (C) | 109.9 |
| 10a (C) | 152.1 |
| 1' (C) | 167.5 |
| 1'' (C) | 201.1 |
| 2'' (CH3) | 32.1 |
| 2''' (C) | 152.7 |
| 3''' (CH) | 120.9 |
| 4''' (C) | 172.9 |
| 5''' (C) | 119.8 |
| 6''' (C) | 141.7 |
| 7''' (C) | 152.7 |
| 8''' (CH) | 102.3 |
| 9''' (C) | 167.4 |
| 1'''' (C) | 199.1 |
| 2'''' (CH3) | 29.1 |
| 4'''a (C) | 112.4 |
| 8'''a (C) | 150.8 |
