Spektraris NMR
Brasixanthone-C
Common Name: Brasixanthone-C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O7/c1-11(2)17(30-27)10-15-21-13(7-8-23(3,4)29-21)19(25)18-20(26)14-9-12(24)5-6-16(14)28-22(15)18/h5-9,17,24-25,27H,1,10H2,2-4H3
InChIKey: InChIKey=JSZZQWZCXGLNKJ-UHFFFAOYSA-N
Formula: C23H22O7
Molecular Weight: 410.417457
Exact Mass: 410.136553
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) | 156.4 |
| 2 (C) | 104.1 |
| 3 (C) | 159.8 |
| 4 (C) | 105 |
| 4a (C) | 157.3 |
| 5 (CH) | 120.4 |
| 6 (CH) | 125.8 |
| 7 (C) | 155.5 |
| 8 (CH) | 109.6 |
| 8a (C) | 122 |
| 9 (C) | 182.2 |
| 9a (C) | 110.9 |
| 10a (C) | 151.1 |
| 1' (CH) | 116.4 |
| 2' (CH) | 129 |
| 3' (C) | 79.8 |
| 4' (CH3) | 29.1 |
| 5' (CH3) | 29.1 |
| 1'' (CH2) | 25.7 |
| 2'' (CH) | 89.4 |
| 3'' (C) | 146.2 |
| 4'' (CH2) | 113.7 |
| 5'' (CH3) | 17.8 |
