(3R,4aalpha)-3,8beta-Dimethyl-4alpha-ethoxy-5alpha-isopropyldecalin-3beta,8aalpha-diol

(3R,4aalpha)-3,8beta-Dimethyl-4alpha-ethoxy-5alpha-isopropyldecalin-3beta,8aalpha-diol

Common Name: (3R,4aalpha)-3,8beta-Dimethyl-4alpha-ethoxy-5alpha-isopropyldecalin-3beta,8aalpha-diol

Synonyms: (3R,4aalpha)-3,8beta-Dimethyl-4alpha-ethoxy-5alpha-isopropyldecalin-3beta,8aalpha-diol

CAS Registry Number:

InChI: InChI=1S/C17H32O3/c1-6-20-15-14-13(11(2)3)8-7-12(4)17(14,19)10-9-16(15,5)18/h11-15,18-19H,6-10H2,1-5H3/t12-,13+,14-,15-,16-,17+/m1/s1

InChIKey: InChIKey=MQOGRIRJXIYHKV-GGGWTEGZSA-N

Formula: C17H32O3

Molecular Weight: 284.434829

Exact Mass: 284.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kuo, Y.H., Chen, C.H., Chien, S.C., Lin, Y.L. J Nat Prod (2002) 65, 25-8

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 (C) 74.7
2 (CH2) 32.1
3 (CH2) 25
4 (C) 75.6
5 (CH) 72.3
6 (CH) 42.5
7 (CH) 37.4
8 (CH2) 23.7
9 (CH2) 30.4
10 (CH) 41.1
11 (CH) 25.6
12 (CH3) 14.9
13 (CH3) 21.5
14 (CH3) 14.1
15 (CH3) 21.7
5a (CH2) 55.9
5b (CH3) 16.2