Spektraris NMR
Virgataxanthone B
Common Name: Virgataxanthone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O6/c1-15(2)7-6-8-16(3)9-10-17-19(29)13-20(30)24-25(32)23-18-11-12-28(4,5)34-26(18)21(31)14-22(23)33-27(17)24/h7,9,11-14,29-31H,6,8,10H2,1-5H3/b16-9+
InChIKey: InChIKey=GOLPEIAEOMFCOY-CXUHLZMHSA-N
Formula: C28H30O6
Molecular Weight: 462.535257
Exact Mass: 462.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Merza, J., Aumond, M.C., Rondeau, D., Dumontet, V., Le Ray, A.M., Seraphin, D., Richomme, P. Phytochemistry (2004) 65, 2915-20
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) | 161.6 |
| 2 (CH) | 98.5 |
| 3 (C) | 161.3 |
| 4 (C) | 104.1 |
| 4a (C) | 154 |
| 5 (CH) | 102.3 |
| 6 (C) | 153.1 |
| 7 (C) | 136.8 |
| 8 (C) | 119.7 |
| 8a (C) | 108.4 |
| 9 (C) | 182.8 |
| 9a (C) | 104.1 |
| 10a (C) | 150.9 |
| 1' (CH2) | 21.6 |
| 2' (CH) | 121.2 |
| 3' (C) | 138.9 |
| 4' (CH2) | 39.7 |
| 5' (CH2) | 26.3 |
| 6' (CH) | 123.7 |
| 7' (C) | 132.1 |
| 8' (CH3) | 17.2 |
| 9' (CH3) | 25.6 |
| 10' (CH3) | 16.3 |
| 1'' (CH) | 121.2 |
| 2'' (CH) | 132.4 |
| 3'' (C) | 77 |
| 4'' (CH3) | 27.3 |
| 5'' (CH3) | 27.3 |
