Common Name: 7,7-Dimethyl-2-methylenebicyclo[3.1.1]heptane-6-ol acetate
Synonyms: 7,7-Dimethyl-2-methylenebicyclo[3.1.1]heptane-6-ol acetate
CAS Registry Number:
InChI: InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h9-11H,1,5-6H2,2-4H3
InChIKey: InChIKey=NSUMZFLFAJHUFQ-UHFFFAOYSA-N
Formula: C12H18O2
Molecular Weight: 194.270574
Exact Mass: 194.13068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gauvin, A., Susperregui, J., Barth, P., Louis, R., Deleris, G., Smadja, J. Phytochemistry (2004) 65, 897-901
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Pinanes; 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)
Position | PPM |
---|---|
1 (CH) | 56.1 |
2 (C) | 149.5 |
3 (CH2) | 23.7 |
4 (CH2) | 23.5 |
5 (CH) | 45.2 |
6 (CH) | 77.6 |
7 (C) | 40 |
8 (CH3) | 23.3 |
9 (CH3) | 27.5 |
10 (CH2) | 107.8 |
6a (C) | 170.5 |
6b (CH3) | 21.5 |