Spektraris NMR
3-Oxo-8a-methoxy-10aH-eremophila-1,7(11)-dien-12,8b-olide
Common Name: 3-Oxo-8a-methoxy-10aH-eremophila-1,7(11)-dien-12,8b-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H20O4/c1-9-12-8-15(3)10(2)13(17)6-5-11(15)7-16(12,19-4)20-14(9)18/h5-6,10-11H,7-8H2,1-4H3/t10-,11-,15+,16+/m0/s1
InChIKey: InChIKey=OJVOYGHFOFCKMO-DPDCMNJDSA-N
Formula: C16H20O4
Molecular Weight: 276.328209
Exact Mass: 276.136159
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) | 149.2 |
| 2 (CH) | 129.4 |
| 3 (C) | 199.6 |
| 4 (CH) | 42.8 |
| 5 (C) | 44.1 |
| 6 (CH2) | 36.2 |
| 7 (C) | 155 |
| 8 (C) | 105.4 |
| 9 (CH2) | 37.9 |
| 10 (CH) | 53.9 |
| 11 (C) | 127.1 |
| 12 (C) | 170.9 |
| 13 (CH3) | 8.1 |
| 14 (CH3) | 10.8 |
| 15 (CH3) | 7.1 |
| 8a (CH3) | 50 |
