Spektraris NMR
Polygalaxanthone V
Common Name: Polygalaxanthone V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O15/c1-8-18(30)21(33)23(35)25(37-8)41-24-22(34)20(32)16(7-27)40-26(24)39-14-6-12-10(5-13(14)36-2)19(31)17-11(29)3-9(28)4-15(17)38-12/h3-6,8,16,18,20-30,32-35H,7H2,1-2H3/t8-,16-,18-,20-,21+,22+,23+,24-,25+,26-/m1/s1
InChIKey: InChIKey=YYTOQVPOKBYUID-XUWQWXJDSA-N
Formula: C26H30O15
Molecular Weight: 582.50843
Exact Mass: 582.15847
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Jiang, Y., Tu, P.F. Phytochemistry (2002) 60, 813-6
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) | 162.6 |
| 2 (CH) | 98 |
| 3 (C) | 165.1 |
| 4 (CH) | 93.7 |
| 4a (C) | 157.4 |
| 5 (CH) | 103 |
| 6 (C) | 152.6 |
| 7 (C) | 146.8 |
| 8 (CH) | 104.3 |
| 8a (C) | 113.2 |
| 9 (C) | 178.8 |
| 9a (C) | 101.8 |
| 10a (C) | 151.2 |
| 1' (CH) | 97.4 |
| 2' (CH) | 75.2 |
| 3' (CH) | 77 |
| 4' (CH) | 69.6 |
| 5' (CH) | 77.6 |
| 6' (CH2) | 60.5 |
| 1'' (CH) | 99.9 |
| 2'' (CH) | 70.3 |
| 3'' (CH) | 70.5 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 68.4 |
| 6'' (CH3) | 18.1 |
| 7a (CH3) | 55.8 |
