Spektraris NMR
(3S)-3-Acetoxyeremophil-1,7(11),9-trien-8-one
Common Name: (3S)-3-Acetoxyeremophil-1,7(11),9-trien-8-one
Synonyms: (3S)-3-Acetoxyeremophil-1,7(11),9-trien-8-one
CAS Registry Number:
InChI: InChI=1S/C17H22O3/c1-10(2)14-9-17(5)11(3)16(20-12(4)18)7-6-13(17)8-15(14)19/h6-8,11,16H,9H2,1-5H3/t11-,16-,17+/m0/s1
InChIKey: InChIKey=FJZBAGIMAUDSAO-MZPVMMEZSA-N
Formula: C17H22O3
Molecular Weight: 274.355422
Exact Mass: 274.156895
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 (CH) | 130.75 |
| 2 (CH) | 131.04 |
| 3 (CH) | 69.41 |
| 4 (CH) | 39.9 |
| 5 (C) | 37.49 |
| 6 (CH2) | 39.69 |
| 7 (C) | 128.17 |
| 8 (C) | 189.84 |
| 9 (CH) | 128.73 |
| 10 (C) | 157.24 |
| 11 (C) | 144.32 |
| 12 (CH3) | 22.92 |
| 13 (CH3) | 22.07 |
| 14 (CH3) | 10.01 |
| 15 (CH3) | 18.38 |
| 3a (C) | 169.49 |
| 3b (CH3) | 20.15 |
