Spektraris NMR
Polygalaxanthone III
Common Name: Polygalaxanthone III
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O15/c1-36-13-2-8-12(4-9(13)27)39-21-15(17(8)30)10(28)3-11(29)16(21)22-20(33)19(32)18(31)14(40-22)5-37-24-23(34)25(35,6-26)7-38-24/h2-4,14,18-20,22-24,26-29,31-35H,5-7H2,1H3/t14-,18-,19+,20-,22+,23+,24-,25-/m1/s1
InChIKey: InChIKey=SFAJHJBOZNPSJH-CKNXZPNHSA-N
Formula: C25H28O15
Molecular Weight: 568.481812
Exact Mass: 568.14282
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ikeya, Y., Sugama, K., Maruno, M. Chem Pharm Bull (1994) 42, 2305-8
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) | 165.2 |
| 2 (CH) | 94.6 |
| 3 (C) | 165.3 |
| 4 (C) | 108.4 |
| 4a (C) | 157.4 |
| 5 (CH) | 103.5 |
| 6 (C) | 153.2 |
| 7 (C) | 147.3 |
| 8 (CH) | 105.4 |
| 8a (C) | 111.9 |
| 9 (C) | 179.9 |
| 9a (C) | 102.6 |
| 10a (C) | 157.4 |
| 1' (CH) | 75.3 |
| 2' (CH) | 72.3 |
| 3' (CH) | 80.2 |
| 4' (CH) | 71.7 |
| 5' (CH) | 81.2 |
| 6' (CH2) | 69.2 |
| 1'' (CH) | 110.7 |
| 2'' (CH) | 77.6 |
| 3'' (C) | 80.3 |
| 4'' (CH2) | 74.8 |
| 5'' (CH2) | 65.2 |
| 7a (CH3) | 56.1 |
