Spektraris NMR
3β-(3-methylbutanoyloxy)-11-noroxoeremophila-6(7),9(10)-diene-8,11-dione
Common Name: 3β-(3-methylbutanoyloxy)-11-noroxoeremophila-6(7),9(10)-diene-8,11-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O4/c1-11(2)8-18(22)23-17-7-6-14-9-16(21)15(13(4)20)10-19(14,5)12(17)3/h9-12,17H,6-8H2,1-5H3/t12-,17-,19+/m0/s1
InChIKey: InChIKey=NRHWROIRYIUENC-OYYNGEPBSA-N
Formula: C19H26O4
Molecular Weight: 318.408061
Exact Mass: 318.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, J.Q., Hu, L.H. Helv Chim Acta (2009) 92, 357-61
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 (CH2) | 27.9 |
| 2 (CH2) | 32.7 |
| 3 (CH) | 72.8 |
| 4 (CH) | 42.4 |
| 5 (C) | 43.8 |
| 6 (CH) | 159.2 |
| 7 (C) | 136.5 |
| 8 (C) | 183.8 |
| 9 (CH) | 125.7 |
| 10 (C) | 166.7 |
| 11 (C) | 199.3 |
| 13 (CH3) | 31.2 |
| 14 (CH3) | 20.1 |
| 15 (CH3) | 12.5 |
| 3a (C) | 172.6 |
| 3b (CH2) | 44.1 |
| 3c (CH) | 26.1 |
| 3d (CH3) | 22.6 |
| 33a (CH3) | 22.6 |
