Spektraris NMR
Isoalvaxanthone
Common Name: Isoalvaxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O6/c1-6-23(4,5)17-14(24)10-15-16(20(17)27)19(26)13-9-12(8-7-11(2)3)18(25)21(28)22(13)29-15/h6-7,9-10,24-25,27-28H,1,8H2,2-5H3
InChIKey: InChIKey=HSGGSJBRVQFVGH-UHFFFAOYSA-N
Formula: C23H24O6
Molecular Weight: 396.433933
Exact Mass: 396.157289
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Kobayashi, M., Mahmud, T., Yoshioka, N., Shibuya, H., Kitagawa, I. Chem Pharm Bull (1997) 45, 1615-9
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) | 164 |
| 2 (C) | 115.6 |
| 3 (C) | 164.5 |
| 4 (CH) | 95.1 |
| 4a (C) | 156.3 |
| 5 (C) | 133.4 |
| 6 (C) | 150.5 |
| 7 (C) | 126.6 |
| 8 (CH) | 116.7 |
| 8a (C) | 113.7 |
| 9 (C) | 181.4 |
| 9a (C) | 103.2 |
| 10a (C) | 145.1 |
| 1' (C) | 41.7 |
| 2' (CH3) | 30.1 |
| 3' (CH3) | 30.1 |
| 4' (CH) | 150.9 |
| 5' (CH2) | 108.5 |
| 1'' (CH2) | 28.8 |
| 2'' (CH) | 122.8 |
| 3'' (C) | 132.1 |
| 4'' (CH3) | 17.9 |
| 5'' (CH3) | 25.9 |
