Spektraris NMR
5-O-Demethylpaxanthonin
Common Name: 5-O-Demethylpaxanthonin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O6/c1-10(2)11-7-13(23(3,4)9-11)17-15(25)8-16-18(21(17)28)19(26)12-5-6-14(24)20(27)22(12)29-16/h5-6,8,11,13,24-25,27-28H,1,7,9H2,2-4H3/t11-,13?/m0/s1
InChIKey: InChIKey=LYMUFMGSOHLCHO-AMGKYWFPSA-N
Formula: C23H24O6
Molecular Weight: 396.433933
Exact Mass: 396.157289
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Rath, G., Potterat, O., Mavi, S., Hostettmann, K. Phytochemistry (1996) 43, 513-20
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) | 164.8 |
| 2 (C) | 111.3 |
| 3 (C) | 163.6 |
| 4 (CH) | 94.5 |
| 4a (C) | 156.5 |
| 5 (C) | 133.3 |
| 6 (C) | 152.2 |
| 7 (CH) | 113.7 |
| 8 (CH) | 117.4 |
| 8a (C) | 114.8 |
| 9 (C) | 181.3 |
| 9a (C) | 102.9 |
| 10a (C) | 146.8 |
| 1' (CH) | 44.2 |
| 2' (C) | 45.8 |
| 3' (CH2) | 48.3 |
| 4' (CH) | 44.9 |
| 5' (CH2) | 33.3 |
| 6' (C) | 150.3 |
| 7' (CH2) | 108.3 |
| 8' (CH3) | 21.2 |
| 9' (CH3) | 30.5 |
| 10' (CH3) | 25.1 |
