Spektraris NMR
Parahigginol B
Common Name: Parahigginol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O4/c1-11(2)7-15(21-13(4)19)8-12(3)16-6-5-14(10-18)9-17(16)20/h5-6,9-12,15,20H,7-8H2,1-4H3
InChIKey: InChIKey=UVNHXUAXEBVNDH-UHFFFAOYSA-N
Formula: C17H24O4
Molecular Weight: 292.370708
Exact Mass: 292.167459
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) | 154.5 |
| 2 (CH) | 115.6 |
| 3 (C) | 135.4 |
| 4 (CH) | 123.1 |
| 5 (CH) | 127.5 |
| 6 (C) | 140.5 |
| 7 (CH) | 28.6 |
| 8 (CH2) | 42.5 |
| 9 (CH) | 72.1 |
| 10 (CH2) | 44 |
| 11 (CH) | 24.7 |
| 12 (CH3) | 22.5 |
| 13 (CH3) | 22.7 |
| 14 (CH3) | 21.9 |
| 15 (CH) | 192 |
| 9a (C) | 172.1 |
| 9b (CH3) | 21.4 |
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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.