Spektraris NMR
Polygalaxanthone IV
Common Name: Polygalaxanthone IV
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H32O15/c1-9-19(30)22(33)24(35)26(38-9)42-25-23(34)21(32)17(8-28)41-27(25)40-15-7-13-11(6-14(15)37-3)20(31)18-12(29)4-10(36-2)5-16(18)39-13/h4-7,9,17,19,21-30,32-35H,8H2,1-3H3/t9-,17-,19-,21-,22+,23+,24+,25-,26+,27-/m1/s1
InChIKey: InChIKey=LCUUDEGZJCYIRC-XSKCSJPESA-N
Formula: C27H32O15
Molecular Weight: 596.535047
Exact Mass: 596.17412
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) | 162.4 |
| 2 (CH) | 97 |
| 3 (C) | 165.9 |
| 4 (CH) | 92.5 |
| 4a (C) | 157.3 |
| 5 (CH) | 102.9 |
| 6 (C) | 152.8 |
| 7 (C) | 146.9 |
| 8 (CH) | 104.3 |
| 8a (C) | 113.2 |
| 9 (C) | 179.1 |
| 9a (C) | 102.6 |
| 10a (C) | 151.3 |
| 1' (CH) | 97.4 |
| 2' (CH) | 75.1 |
| 3' (CH) | 77 |
| 4' (CH) | 69.7 |
| 5' (CH) | 77.6 |
| 6' (CH2) | 60.5 |
| 1'' (CH) | 99.8 |
| 2'' (CH) | 70.3 |
| 3'' (CH) | 70.5 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 68.4 |
| 6'' (CH3) | 18.1 |
| 3a (CH3) | 56.1 |
| 7a (CH3) | 55.8 |
