Spektraris NMR
1,3,11-Trihydroxyeremophila-6,9-dien-8-one
Common Name: 1,3,11-Trihydroxyeremophila-6,9-dien-8-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-8-11(16)6-13(18)9-5-12(17)10(14(2,3)19)7-15(8,9)4/h5,7-8,11,13,16,18-19H,6H2,1-4H3/t8-,11-,13+,15+/m0/s1
InChIKey: InChIKey=CBVBMTGALPSRGA-JPRMETQZSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Arciniegas, A., Perez-Castorena, A.L., Reyes, S., Contreras, J.L., De Vivar, A.R. J Nat Prod (2003) 66, 225-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH) | 72.5 |
| 2 (CH2) | 39.8 |
| 3 (CH) | 74.6 |
| 4 (CH) | 43.3 |
| 5 (C) | 42.7 |
| 6 (CH) | 150.3 |
| 7 (C) | 139.9 |
| 8 (C) | 188.2 |
| 9 (CH) | 126.7 |
| 10 (C) | 165.2 |
| 11 (C) | 71.9 |
| 12 (CH3) | 28.8 |
| 13 (CH3) | 28.9 |
| 14 (CH3) | 22 |
| 15 (CH3) | 12.7 |
