Spektraris NMR
1,3-Dihydroxyeremophila-9,7(11)-dien-8-one
Common Name: 1,3-Dihydroxyeremophila-9,7(11)-dien-8-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-8(2)10-7-15(4)9(3)12(16)6-14(18)11(15)5-13(10)17/h5,9,12,14,16,18H,6-7H2,1-4H3/t9-,12-,14+,15+/m0/s1
InChIKey: InChIKey=HUTNPJHLZMXPIR-JQWOWJDXSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
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) | 72.4 |
| 2 (CH2) | 37.7 |
| 3 (CH) | 73.8 |
| 4 (CH) | 43.8 |
| 5 (C) | 39.9 |
| 6 (CH2) | 45.4 |
| 7 (C) | 127.6 |
| 8 (C) | 192.2 |
| 9 (CH) | 129.2 |
| 10 (C) | 164.5 |
| 11 (C) | 154.8 |
| 12 (CH3) | 22.9 |
| 13 (CH3) | 22.7 |
| 14 (CH3) | 21.3 |
| 15 (CH3) | 12.5 |
