Spektraris NMR
EQ-5
Common Name: EQ-5
Synonyms: EQ-5
CAS Registry Number:
InChI: InChI=1S/C16H16O6/c1-8-6-10(17)13-11(7-8)22-16(15(20)21-2)9(14(13)19)4-3-5-12(16)18/h3,5-7,9,12,17-18H,4H2,1-2H3/t9-,12-,16+/m0/s1
InChIKey: InChIKey=SQQVLPAZXRNECF-RVIYUIFMSA-N
Formula: C16H16O6
Molecular Weight: 304.295256
Exact Mass: 304.094688
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fujimoto, H., Asai, T., Kim, Y.P., Ishibashi, M. Chem Pharm Bull (2006) 54, 550-3
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 (CH2) | 25.6 |
| 2 (CH) | 127.4 |
| 3 (CH) | 127.3 |
| 4 (CH) | 69.3 |
| 4a (C) | 82.7 |
| 5 (CH) | 108.4 |
| 6 (C) | 151.1 |
| 7 (CH) | 111.1 |
| 8 (C) | 162.5 |
| 8a (C) | 103.6 |
| 9 (C) | 197.1 |
| 9a (CH) | 45.2 |
| 10a (C) | 159 |
| 1' (C) | 170.7 |
| 2' (CH3) | 53.4 |
| 6a (CH3) | 22.6 |
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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.