Spektraris NMR
1-O-Primeverosyl-3,8-dihydroxy-5-methoxyxanthone
Common Name: 1-O-Primeverosyl-3,8-dihydroxy-5-methoxyxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O15/c1-35-11-3-2-9(27)15-19(31)16-12(38-23(11)15)4-8(26)5-13(16)39-25-22(34)20(32)18(30)14(40-25)7-37-24-21(33)17(29)10(28)6-36-24/h2-5,10,14,17-18,20-22,24-30,32-34H,6-7H2,1H3/t10-,14-,17+,18-,20+,21-,22-,24+,25-/m1/s1
InChIKey: InChIKey=USBLWLBBDROWFR-CENUTXNQSA-N
Formula: C25H28O15
Molecular Weight: 568.481812
Exact Mass: 568.14282
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Menkovic, N., Savikin-Fodulovic, K., Bulatovic, V., Aljancic, I., Juranic, N., Macura, S., Vajs, V., Milosavljevic, S. Phytochemistry (2002) 61, 415-20
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) | 159.4 |
| 2 (CH) | 100 |
| 3 (C) | 164.9 |
| 4 (CH) | 96.5 |
| 5 (C) | 139.3 |
| 6 (CH) | 119.5 |
| 7 (CH) | 108.9 |
| 8 (C) | 154 |
| 9 (C) | 179.9 |
| 1' (CH) | 102 |
| 2' (CH) | 73 |
| 3' (CH) | 76.4 |
| 4' (CH) | 69.8 |
| 5' (CH) | 76.3 |
| 6' (CH2) | 68.7 |
| 1'' (CH) | 104.2 |
| 2'' (CH) | 73.6 |
| 3'' (CH) | 76.5 |
| 4'' (CH) | 69.8 |
| 5'' (CH2) | 65.8 |
| 4a (C) | 159 |
| 5a (CH3) | 56.9 |
| 8a (C) | 108.5 |
| 9a (C) | 104.3 |
| 10a (C) | 144.1 |
