(3S)-3-Isopropenyl-4abeta,5beta-dimethyl-6alpha-(propanoyloxy)-2,3,4,4a,5,6,7,8-octahydronaphthalene-2-one

(3S)-3-Isopropenyl-4abeta,5beta-dimethyl-6alpha-(propanoyloxy)-2,3,4,4a,5,6,7,8-octahydronaphthalene-2-one

Common Name: (3S)-3-Isopropenyl-4abeta,5beta-dimethyl-6alpha-(propanoyloxy)-2,3,4,4a,5,6,7,8-octahydronaphthalene-2-one

Synonyms: (3S)-3-Isopropenyl-4abeta,5beta-dimethyl-6alpha-(propanoyloxy)-2,3,4,4a,5,6,7,8-octahydronaphthalene-2-one

CAS Registry Number:

InChI: InChI=1S/C18H26O3/c1-6-17(20)21-16-8-7-13-9-15(19)14(11(2)3)10-18(13,5)12(16)4/h9,12,14,16H,2,6-8,10H2,1,3-5H3/t12-,14-,16+,18+/m0/s1

InChIKey: InChIKey=HUSBFXYHJABOAS-BMGTVUPLSA-N

Formula: C18H26O3

Molecular Weight: 290.397921

Exact Mass: 290.188195

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Tori, M., Watanabe, A., Matsuo, S., Okamoto, Y., Tachikawa, K., Takaoka, S., Gong, X., Kuroda, C., Hanai, R. Tetrahedron (2008) 64, 4486-95

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH2) 30.2
2 (CH2) 31.8
3 (CH) 72.9
4 (CH) 47.4
5 (C) 39.8
6 (CH2) 41.8
7 (CH) 50.4
8 (C) 196.5
9 (CH) 125
10 (C) 164.6
11 (C) 144.2
12 (CH2) 113.7
13 (CH3) 20.6
14 (CH3) 16.5
15 (CH3) 10.3
3a (C) 173.2
3b (CH2) 27.8
3c (CH3) 9.3