7,7-Dimethyl-2-methylenebicyclo[3.1.1]heptane-6-ol acetate

7,7-Dimethyl-2-methylenebicyclo[3.1.1]heptane-6-ol acetate

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)

Carbon NMR Peaks

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