(1R,4R,6R,10S,12S)-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane-12-carboxylic acid

(1R,4R,6R,10S,12S)-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane-12-carboxylic acid

Common Name: (1R,4R,6R,10S,12S)-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane-12-carboxylic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O3/c1-9-4-5-12-15(3,18-12)7-6-11-10(9)8-14(11,2)13(16)17/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12-,14-,15-/m1/s1

InChIKey: InChIKey=FQFXKSTXOZAVQJ-URFZWBKFSA-N

Formula: C15H22O3

Molecular Weight: 250.33395

Exact Mass: 250.156895

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahmed, A.F., Su, J.H., Shiue, R.T., Pan, X.J., Dai, C.F., Kuo, Y.H., Sheu, J.H. J Nat Prod (2004) 67, 592-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Caryophyllanes; 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) 47.7
2 (CH2) 29.8
3 (CH2) 38.5
4 (C) 59.5
5 (CH) 63.5
6 (CH2) 29.7
7 (CH2) 35.1
8 (C) 150.4
9 (CH) 47.3
10 (CH2) 27.5
11 (C) 41.8
12 (CH3) 16.8
13 (C) 182.8
14 (CH3) 114
15 (CH2) 16.4