Spektraris NMR
Brasixanthone-A
Common Name: Brasixanthone-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H24O6/c1-12(2)6-7-13-10-15-21(27)18-17(29-22(15)23(28-5)19(13)25)11-16-14(20(18)26)8-9-24(3,4)30-16/h6,8-11,25-26H,7H2,1-5H3
InChIKey: InChIKey=IPRFEPIGHJONEO-UHFFFAOYSA-N
Formula: C24H24O6
Molecular Weight: 408.444669
Exact Mass: 408.157289
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ito, C., Itoigawa, M., Mishina, Y., Filho, V.C., Mukainaka, T., Tokuda, H., Nishino, H., Furukawa, H. J Nat Prod (2002) 65, 267-72
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) | 157.8 |
| 2 (C) | 104.7 |
| 3 (C) | 160.3 |
| 4 (CH) | 95 |
| 4a (C) | 156.6 |
| 5 (C) | 133.1 |
| 6 (C) | 152.5 |
| 7 (C) | 125.6 |
| 8 (CH) | 120.5 |
| 8a (C) | 114 |
| 9 (C) | 180.2 |
| 9a (C) | 103.1 |
| 10a (C) | 147.8 |
| 1' (CH) | 115.4 |
| 2' (CH) | 127.4 |
| 3' (C) | 78.2 |
| 4' (CH3) | 28.4 |
| 5' (CH3) | 28.4 |
| 1'' (CH2) | 28.1 |
| 2'' (CH) | 120.9 |
| 3'' (C) | 133.9 |
| 4'' (CH3) | 17.8 |
| 5'' (CH3) | 25.8 |
| 5a (CH3) | 61.8 |
