Spektraris NMR
Celebixanthone
Common Name: Celebixanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O6/c1-9(2)7-8-10-13-15(21)14-11(20)5-4-6-12(14)25-19(13)17(23)16(22)18(10)24-3/h4-7,20,22-23H,8H2,1-3H3
InChIKey: InChIKey=OQPZXQVAOOHEFP-UHFFFAOYSA-N
Formula: C19H18O6
Molecular Weight: 342.343345
Exact Mass: 342.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Laphookhieo, S., Syers, J.K., Kiattansakul, R., Chantrapromma, K. Chem Pharm Bull (2006) 54, 745-7
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) | 161.8 |
| 2 (CH) | 111.2 |
| 3 (CH) | 136.1 |
| 4 (CH) | 106.8 |
| 4a (C) | 154.6 |
| 5 (C) | 132.1 |
| 6 (C) | 144.8 |
| 7 (C) | 143.8 |
| 8 (C) | 128.2 |
| 8a (C) | 111.5 |
| 9 (C) | 184.1 |
| 9a (C) | 109.3 |
| 10a (C) | 144 |
| 1' (CH2) | 25.8 |
| 2' (CH) | 123.7 |
| 3' (C) | 133 |
| 4' (CH3) | 18.1 |
| 5' (CH3) | 26 |
| 7a (CH3) | 63.1 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.