Spektraris NMR
3-Acetoxyeremophil-7(11),9-dien-8-one
Common Name: 3-Acetoxyeremophil-7(11),9-dien-8-one
Synonyms: 3-Acetoxyeremophil-7(11),9-dien-8-one
CAS Registry Number:
InChI: InChI=1S/C17H24O3/c1-10(2)14-9-17(5)11(3)16(20-12(4)18)7-6-13(17)8-15(14)19/h8,11,16H,6-7,9H2,1-5H3/t11-,16-,17+/m0/s1
InChIKey: InChIKey=RIMSRWLZAHVEPH-MZPVMMEZSA-N
Formula: C17H24O3
Molecular Weight: 276.371303
Exact Mass: 276.172545
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Sorensen, D., Raditsis, A., Trimble, L.A., Blackwell, B.A., Sumarah, M.W., Miller, J.D. J Nat Prod (2007) 70, 121-3
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) | 26.77 |
| 2 (CH2) | 30.41 |
| 3 (CH) | 72.68 |
| 4 (CH) | 43.95 |
| 5 (C) | 40.91 |
| 6 (CH2) | 41.56 |
| 7 (C) | 127.85 |
| 8 (C) | 190.05 |
| 9 (CH) | 126.82 |
| 10 (C) | 164.96 |
| 11 (C) | 141.96 |
| 12 (CH3) | 22.6 |
| 13 (CH3) | 21.57 |
| 14 (CH3) | 11.14 |
| 15 (CH3) | 18.07 |
| 3a (C) | 169.2 |
| 3b (CH3) | 20.36 |
