Spektraris NMR
1b,10b-Epoxy-8a-methoxyeremophil-7(11)-en-12,8b-olide
Common Name: 1b,10b-Epoxy-8a-methoxyeremophil-7(11)-en-12,8b-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O4/c1-9-5-6-12-15(19-12)8-16(18-4)11(7-14(9,15)3)10(2)13(17)20-16/h9,12H,5-8H2,1-4H3/t9-,12-,14+,15-,16+/m0/s1
InChIKey: InChIKey=HKAIYTYUJIXIHQ-OHHJKGJQSA-N
Formula: C16H22O4
Molecular Weight: 278.344091
Exact Mass: 278.151809
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) | 63.6 |
| 2 (CH2) | 24.1 |
| 3 (CH2) | 23.6 |
| 4 (CH) | 40.1 |
| 5 (C) | 38.6 |
| 6 (CH2) | 36.5 |
| 7 (C) | 156.1 |
| 8 (C) | 105.5 |
| 9 (CH2) | 43.3 |
| 10 (C) | 61.4 |
| 11 (C) | 125.7 |
| 12 (C) | 171.5 |
| 13 (CH3) | 8.2 |
| 14 (CH3) | 17.6 |
| 15 (CH3) | 15.9 |
| 8a (CH3) | 50.2 |
