Spektraris NMR
Hyperbrasilone
Common Name: Hyperbrasilone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H16O4/c1-9-16(2,3)14-12(18)8-13(20-15(14)19-9)10-4-6-11(17)7-5-10/h4-9,17H,1-3H3
InChIKey: InChIKey=ICMYLWYQIYMIFN-UHFFFAOYSA-N
Formula: C16H16O4
Molecular Weight: 272.296446
Exact Mass: 272.104859
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Rocha, L., Marston, A., Kaplan, M.A., Stoeckli-Evans, H., Thull, U., Testa, B., Hostettmann, K. Phytochemistry (1994) 36, 1381-5
Species:
Notes: Family : Pyranes, Type : Pyrones; 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 |
|---|---|
| 2 (C) | 162.6 |
| 3 (CH) | 91.2 |
| 4 (C) | 169.5 |
| 5 (C) | 42 |
| 6 (CH) | 91 |
| 7 (CH3) | 19.9 |
| 8 (CH3) | 14.2 |
| 9 (C) | 159.5 |
| 10 (C) | 107 |
| 1' (C) | 121.9 |
| 2' (CH) | 127.4 |
| 3' (CH) | 115.7 |
| 4' (C) | 160.2 |
| 5' (CH) | 115.7 |
| 6' (CH) | 127.4 |
| 6a (CH3) | 25 |
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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.