Acetyloxy-7-isopropyl-4,10-dimethylbicyclo[4.4.0]dec-4-en-10-ol

Acetyloxy-7-isopropyl-4,10-dimethylbicyclo[4.4.0]dec-4-en-10-ol

Common Name: Acetyloxy-7-isopropyl-4,10-dimethylbicyclo[4.4.0]dec-4-en-10-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H28O3/c1-10(2)13-6-7-17(5,19)15-9-16(20-12(4)18)11(3)8-14(13)15/h8,10,13-16,19H,6-7,9H2,1-5H3/t13-,14-,15-,16-,17+/m1/s1

InChIKey: InChIKey=MCYALLBNGPQMGA-HHARLNAUSA-N

Formula: C17H28O3

Molecular Weight: 280.403066

Exact Mass: 280.203845

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tsypysheva, I.P., Kunakova, A.M., Shitikova, O.V., Spirikhin, L.V., Valeev, F.A., Tolstikov, G.A. Chem Nat Compd (2002) 38, 154-60

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Muurolanes; 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) 38.66
2 (CH2) 23.7
3 (CH) 73.83
4 (C) 133.04
5 (CH) 127.4
6 (CH) 37.5
7 (CH) 44.22
8 (CH2) 21.4
9 (CH2) 34.24
10 (C) 71.45
11 (CH) 26.37
12 (CH3) 21.22
13 (CH3) 21.5
14 (CH3) 18.99
15 (CH3) 27.37
3a (C) 170.81
3b (CH3) 21.03