Spektraris NMR
3-Oxoeremophila-1,7(11)-dien-12,8b-olide
Common Name: 3-Oxoeremophila-1,7(11)-dien-12,8b-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-8-11-7-15(3)9(2)12(16)5-4-10(15)6-13(11)18-14(8)17/h4-5,9-10,13H,6-7H2,1-3H3/t9-,10-,13+,15+/m0/s1
InChIKey: InChIKey=XXZSXQIBOIXLKI-UOJCWERNSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Torres, P., Ayala, J., Grande, C., Anaya, J., Grande, M. Phytochemistry (1999) 52, 1507-13
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) | 148.9 |
| 2 (CH) | 129.6 |
| 3 (C) | 199.6 |
| 4 (CH) | 43 |
| 5 (C) | 43.5 |
| 6 (CH2) | 34 |
| 7 (C) | 158.5 |
| 8 (CH) | 79.3 |
| 9 (CH2) | 37.1 |
| 10 (CH) | 53.8 |
| 11 (C) | 123 |
| 12 (C) | 174 |
| 13 (CH3) | 8 |
| 14 (CH3) | 11.1 |
| 15 (CH3) | 7.1 |
