Spektraris NMR
(-)-Pethybrene
Common Name: (-)-Pethybrene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-11-6-9-13(3)10-12(2)14(4)7-5-8-15(11,13)14/h11H,2,5-10H2,1,3-4H3/t11-,13+,14+,15?/m1/s1
InChIKey: InChIKey=BPSJFUIWVOWJNO-LKWLHFCZSA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Saritas, Y., von Reuss, S.H., Konig, W.A. Phytochemistry (2002) 59, 795-803
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Isocomanes; 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) | 45.6 |
| 2 (CH2) | 48.66 |
| 3 (C) | 162.37 |
| 4 (C) | 48.95 |
| 5 (CH2) | 44 |
| 6 (CH2) | 30.31 |
| 7 (CH2) | 21.26 |
| 8 (C) | 62.32 |
| 9 (CH) | 37.03 |
| 10 (CH2) | 27.59 |
| 11 (CH2) | 40.14 |
| 12 (CH3) | 24.89 |
| 13 (CH2) | 99.17 |
| 14 (CH3) | 19.53 |
| 15 (CH3) | 17.9 |
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.