Spektraris NMR
Parahigginic acid
Common Name: Parahigginic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H20O3/c1-11(2)6-5-7-12(3)14-9-8-13(16(17)18)10-15(14)19-4/h5-10,12H,1-4H3,(H,17,18)/b7-5+
InChIKey: InChIKey=YEIOFTMZKDEMAB-FNORWQNLSA-N
Formula: C16H20O3
Molecular Weight: 260.328804
Exact Mass: 260.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, C.Y., Shen, Y.C., Chen, Y.J., Sheu, J.H., Duh, C.Y. J Nat Prod (1999) 62, 573-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 153.5 |
| 2 (CH) | 117 |
| 3 (C) | 129.3 |
| 4 (CH) | 122.2 |
| 5 (CH) | 126.9 |
| 6 (C) | 136.8 |
| 7 (CH) | 27 |
| 8 (CH) | 133.5 |
| 9 (CH) | 127.9 |
| 10 (CH) | 124.4 |
| 11 (C) | 135.4 |
| 12 (CH3) | 18.4 |
| 13 (CH3) | 26 |
| 14 (CH3) | 19.5 |
| 15 (C) | 166.9 |
| 1a (CH3) | 52.1 |
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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.