Spektraris NMR
(-)-a-Barbatenal
Common Name: (-)-a-Barbatenal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-13-8-5-11(10-16)12(9-13)14(2)6-4-7-15(13,14)3/h5,10,12H,4,6-9H2,1-3H3/t12-,13-,14+,15-/m0/s1
InChIKey: InChIKey=GVADVPQNXLRSBB-XQLPTFJDSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Achenbach, H., Benirschke, G. Phytochemistry (1997) 45, 149-57
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Gymnomitranes; 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) | 44.7 |
| 2 (C) | 55.7 |
| 3 (CH2) | 37 |
| 4 (CH2) | 26.8 |
| 5 (CH2) | 38.7 |
| 6 (C) | 58 |
| 7 (CH) | 42.6 |
| 8 (C) | 147.2 |
| 9 (CH) | 151.2 |
| 10 (CH2) | 41.7 |
| 11 (CH2) | 41.6 |
| 12 (CH) | 192.7 |
| 13 (CH3) | 24.3 |
| 14 (CH3) | 23.9 |
| 15 (CH3) | 27 |
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.