Spektraris NMR
Parahigginol A
Common Name: Parahigginol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-10(2)7-13(16)9-12(4)14-6-5-11(3)8-15(14)17/h5-6,8,10,12-13,16-17H,7,9H2,1-4H3
InChIKey: InChIKey=BBLXPOXTPCPOJY-UHFFFAOYSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
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 |
| 2 (CH) | 117.8 |
| 3 (C) | 128.7 |
| 4 (CH) | 121.2 |
| 5 (CH) | 126.2 |
| 6 (C) | 136 |
| 7 (CH) | 27 |
| 8 (CH2) | 46.8 |
| 9 (CH) | 68.6 |
| 10 (CH2) | 47.1 |
| 11 (CH) | 24.7 |
| 12 (CH3) | 21 |
| 13 (CH3) | 23.1 |
| 14 (CH3) | 22.4 |
| 15 (CH3) | 21.6 |
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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.