Spektraris NMR
Des-isopropylidene-6,7,9,10-dehydrofukinone
Common Name: Des-isopropylidene-6,7,9,10-dehydrofukinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H16O/c1-9-4-3-5-10-8-11(13)6-7-12(9,10)2/h6-9H,3-5H2,1-2H3/t9-,12+/m0/s1
InChIKey: InChIKey=GCQBBQFHAVKHMN-JOYOIKCWSA-N
Formula: C12H16O1
Molecular Weight: 176.255288
Exact Mass: 176.120115
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bohlmann, F., Kramp, W., Robinson, H., King, R.M. Phytochemistry (1981) 20, 1739-40
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) | 30.4 |
| 2 (CH2) | 28.1 |
| 3 (CH2) | 33.2 |
| 4 (CH) | 41.8 |
| 5 (C) | 41.7 |
| 6 (CH) | 155.7 |
| 7 (CH) | 127.6 |
| 8 (C) | 168.8 |
| 9 (CH) | 124.9 |
| 10 (C) | 155.7 |
| 14 (CH3) | 17.2 |
| 15 (CH3) | 16.2 |
