Spektraris NMR
Miliusolide
Common Name: Miliusolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H14O4/c16-14-9-11-8-12(6-7-13(11)19-14)18-15(17)10-4-2-1-3-5-10/h1-7,11-13H,8-9H2/t11-,12+,13-/m0/s1
InChIKey: InChIKey=GUAAVFCFGIYUNB-XQQFMLRXSA-N
Formula: C15H14O4
Molecular Weight: 258.269829
Exact Mass: 258.089209
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huong do, T., Kamperdick, C., Sung, T.V. J Nat Prod (2004) 67, 445-7
Species:
Notes: Family : Benzofuranoids; 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) | 175.5 |
| 3 (CH2) | 35.9 |
| 4 (CH2) | 29.4 |
| 5 (CH) | 67.7 |
| 6 (CH) | 134 |
| 7 (CH) | 125.3 |
| 8 (CH) | 74.2 |
| 9 (CH) | 31.7 |
| 1' (C) | 165.9 |
| 2' (C) | 129.8 |
| 3' (CH) | 129.7 |
| 4' (CH) | 128.5 |
| 5' (CH) | 133.4 |
| 6' (CH) | 128.5 |
| 7' (CH) | 129.7 |
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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.