(3R,4aalpha)-3,8beta-Dimethyl-5alpha-isopropyldecalin-3beta,4alpha,8aalpha-triol 4-acetate

(3R,4aalpha)-3,8beta-Dimethyl-5alpha-isopropyldecalin-3beta,4alpha,8aalpha-triol 4-acetate

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

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

CAS Registry Number:

InChI: InChI=1S/C17H30O4/c1-10(2)13-7-6-11(3)17(20)9-8-16(5,19)15(14(13)17)21-12(4)18/h10-11,13-15,19-20H,6-9H2,1-5H3/t11-,13+,14-,15-,16-,17+/m1/s1

InChIKey: InChIKey=FNTLZZCGECJXCR-MEUUWQKFSA-N

Formula: C17H30O4

Molecular Weight: 298.418353

Exact Mass: 298.214409

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) 72.2
2 (CH2) 31.8
3 (CH2) 29.6
4 (C) 70.6
5 (CH) 75.5
6 (CH) 42.9
7 (CH) 37.2
8 (CH2) 23.7
9 (CH2) 29.8
10 (CH) 41.5
11 (CH) 25.5
12 (CH3) 14.8
13 (CH3) 21.4
14 (CH3) 27.8
15 (CH3) 14.6
5a (C) 169.2
5b (CH3) 21.1