(1R,4S,4aR,6R,8aS)-1-Isopropyl-6-acetoxy-3,4,4a,5,6,8a-hexahydro-4,7-dimethylnaphthalene-2(1H)-one

(1R,4S,4aR,6R,8aS)-1-Isopropyl-6-acetoxy-3,4,4a,5,6,8a-hexahydro-4,7-dimethylnaphthalene-2(1H)-one

Common Name: (1R,4S,4aR,6R,8aS)-1-Isopropyl-6-acetoxy-3,4,4a,5,6,8a-hexahydro-4,7-dimethylnaphthalene-2(1H)-one

Synonyms: (1R,4S,4aR,6R,8aS)-1-Isopropyl-6-acetoxy-3,4,4a,5,6,8a-hexahydro-4,7-dimethylnaphthalene-2(1H)-one

CAS Registry Number:

InChI: InChI=1S/C17H26O3/c1-9(2)17-14-6-11(4)16(20-12(5)18)8-13(14)10(3)7-15(17)19/h6,9-10,13-14,16-17H,7-8H2,1-5H3/t10-,13+,14+,16+,17+/m0/s1

InChIKey: InChIKey=BJLBGEPDNAWIIP-MGNHCAFKSA-N

Formula: C17H26O3

Molecular Weight: 278.387185

Exact Mass: 278.188195

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wang, M.Z., Zhang, Y.Y., Li, S.L., Cai, X.H., Luo, X.D. Helv Chim Acta (2006) 89, 3104-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Amorphanes; 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) 35.1
2 (CH2) 30.5
3 (CH) 69.1
4 (C) 132.3
5 (CH) 130.2
6 (CH) 41.5
7 (CH) 64.2
8 (C) 214.2
9 (CH2) 46.4
10 (CH) 32
11 (CH) 28.3
12 (CH3) 20.3
13 (CH3) 21.1
14 (CH3) 20
15 (CH3) 20.2
3a (C) 170.7
3b (CH3) 21.2