Spektraris NMR
Brasixanthone-E
Common Name: Brasixanthone-E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H24O6/c1-12(2)6-7-14-22-13(8-9-24(3,4)30-22)20(26)19-21(27)15-10-18(28-5)16(25)11-17(15)29-23(14)19/h6,8-11,25-26H,7H2,1-5H3
InChIKey: InChIKey=RZFMMNJGXMKVKH-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) | 155.5 |
| 2 (C) | 104.3 |
| 3 (C) | 157.6 |
| 4 (C) | 107.3 |
| 4a (C) | 154.4 |
| 5 (CH) | 102.6 |
| 6 (C) | 152.4 |
| 7 (C) | 144.3 |
| 8 (CH) | 104.4 |
| 8a (C) | 113 |
| 9 (C) | 180.2 |
| 9a (C) | 103.4 |
| 10a (C) | 152.6 |
| 1' (CH) | 118.3 |
| 2' (CH) | 127.3 |
| 3' (C) | 77.9 |
| 4' (CH3) | 28.3 |
| 5' (CH3) | 28.3 |
| 1'' (CH2) | 21.4 |
| 2'' (CH) | 122.2 |
| 3'' (C) | 131.4 |
| 4'' (CH3) | 18 |
| 5'' (CH3) | 25.8 |
| 7a (CH3) | 56.5 |
