Spektraris NMR
Brasixanthone-D
Common Name: Brasixanthone-D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O7/c1-22(2)8-7-11-16(25)14-17(26)12-9-10(24)5-6-13(12)28-20(14)15(19(11)29-22)18(27)21-23(3,4)30-21/h5-9,18,21,24-25,27H,1-4H3
InChIKey: InChIKey=MDJODYOPXIPBEH-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) | 157.9 |
| 2 (C) | 104.9 |
| 3 (C) | 159.2 |
| 4 (C) | 108.9 |
| 4a (C) | 155.4 |
| 5 (CH) | 120.1 |
| 6 (CH) | 125.5 |
| 7 (C) | 150.6 |
| 8 (CH) | 109.1 |
| 8a (C) | 121.5 |
| 9 (C) | 181.8 |
| 9a (C) | 103.7 |
| 10a (C) | 155.1 |
| 1' (CH) | 115.7 |
| 2' (CH) | 128.7 |
| 3' (C) | 79.8 |
| 4' (CH3) | 28.4 |
| 5' (CH3) | 28.6 |
| 1'' (CH) | 66.6 |
| 2'' (CH) | 67.7 |
| 3'' (C) | 58.2 |
| 4'' (CH3) | 19.8 |
| 5'' (CH3) | 25.1 |
