Spektraris NMR
Pregeijerene B
Common Name: Pregeijerene B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,8-9H,5-7,10H2,1-2H3/b4-3+,11-9+,12-8+
InChIKey: InChIKey=HJFJPKDXNZHKGG-LFVGHESCSA-N
Formula: C12H18
Molecular Weight: 162.271764
Exact Mass: 162.140851
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Cool, L.G., Adams, R.P. Phytochemistry (2003) 63, 105-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Pregeigerenes; 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) | 135.6 |
| 2 (CH) | 126.4 |
| 3 (CH2) | 32.2 |
| 4 (CH) | 129.5 |
| 5 (CH) | 129.5 |
| 6 (CH2) | 42.9 |
| 7 (C) | 133.4 |
| 8 (CH) | 131 |
| 9 (CH2) | 19.1 |
| 10 (CH2) | 35.1 |
| 11 (CH3) | 16 |
| 12 (CH3) | 17.3 |
Copyright © 2025
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.