Spektraris NMR
Calophyllolide
Common Name: Calophyllolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H24O5/c1-6-15(2)22(28)21-23(29-5)17-12-13-26(3,4)31-24(17)20-18(14-19(27)30-25(20)21)16-10-8-7-9-11-16/h6-14H,1-5H3/b15-6-
InChIKey: InChIKey=PMBLOLOJQZPEND-UUASQNMZSA-N
Formula: C26H24O5
Molecular Weight: 416.466736
Exact Mass: 416.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Palmer C., Josephs J. J Chem Soc, Perkin Trans 1 (1995) 0, 3135
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 159.5 |
| 3 (CH) | 114.2 |
| 4 (C) | 155 |
| 5 (C) | 151.7 |
| 6 (C) | 110.7 |
| 7 (C) | 155.8 |
| 8 (C) | 115 |
| 9 (C) | 152 |
| 10 (C) | 105.6 |
| 1' (C) | 139.5 |
| 2' (CH) | 127.3 |
| 3' (CH) | 127.5 |
| 4' (CH) | 127.8 |
| 5' (CH) | 127.5 |
| 6' (CH) | 127.3 |
| 6a (CH) | 116 |
| 6b (CH) | 129 |
| 6c (C) | 77.4 |
| 6d (CH3) | 26.9 |
| 6ca (CH3) | 26.9 |
| 7a (CH3) | 63 |
| 8a (C) | 194.3 |
| 8b (C) | 139.9 |
| 8c (CH) | 144.2 |
| 8d (CH3) | 15.2 |
| 8ba (CH3) | 10.7 |
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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.