Spektraris NMR
Polygalaxanthone VII
Common Name: Polygalaxanthone VII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H32O16/c1-8-17(30)21(34)23(36)26(39-8)43-25-22(35)19(32)15(7-28)42-27(25)41-14-6-13-16(20(33)24(14)38-3)18(31)9-4-12(37-2)10(29)5-11(9)40-13/h4-6,8,15,17,19,21-23,25-30,32-36H,7H2,1-3H3/t8-,15-,17-,19-,21+,22+,23+,25-,26+,27-/m1/s1
InChIKey: InChIKey=WVNVRFMKKCNPKO-BRQAERIESA-N
Formula: C27H32O16
Molecular Weight: 612.534452
Exact Mass: 612.169035
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) | 153.5 |
| 2 (C) | 131.8 |
| 3 (C) | 156.4 |
| 4 (CH) | 93.8 |
| 4a (C) | 152.1 |
| 5 (CH) | 102.7 |
| 6 (C) | 155.1 |
| 7 (C) | 146.3 |
| 8 (CH) | 104.6 |
| 8a (C) | 111.2 |
| 9 (C) | 179.5 |
| 9a (C) | 103.4 |
| 10a (C) | 152.3 |
| 1' (CH) | 97.7 |
| 2' (CH) | 75.8 |
| 3' (CH) | 77.1 |
| 4' (CH) | 69.7 |
| 5' (CH) | 77.5 |
| 6' (CH2) | 60.5 |
| 1'' (CH) | 100 |
| 2'' (CH) | 70.3 |
| 3'' (CH) | 70.5 |
| 4'' (CH) | 72 |
| 5'' (CH) | 68.6 |
| 6'' (CH3) | 18.2 |
| 2a (CH3) | 60.3 |
| 7a (CH3) | 55.9 |
