[(1aR,2S,3aR,7aR,7bS)-1,1,3a,7-tetramethyl-2,3,4,5,7a,7b-hexahydro-1aH-cyclopropa[a]naphthalen-2-yl] acetate

[(1aR,2S,3aR,7aR,7bS)-1,1,3a,7-tetramethyl-2,3,4,5,7a,7b-hexahydro-1aH-cyclopropa[a]naphthalen-2-yl] acetate

Common Name: [(1aR,2S,3aR,7aR,7bS)-1,1,3a,7-tetramethyl-2,3,4,5,7a,7b-hexahydro-1aH-cyclopropa[a]naphthalen-2-yl] acetate

Synonyms: [(1aR,2S,3aR,7aR,7bS)-1,1,3a,7-tetramethyl-2,3,4,5,7a,7b-hexahydro-1aH-cyclopropa[a]naphthalen-2-yl] acetate

CAS Registry Number:

InChI: InChI=1S/C17H26O2/c1-10-7-6-8-17(5)9-12(19-11(2)18)14-15(13(10)17)16(14,3)4/h7,12-15H,6,8-9H2,1-5H3/t12-,13+,14+,15-,17+/m0/s1

InChIKey: InChIKey=VEQCSHPADXTKMC-SOXILONMSA-N

Formula: C17H26O2

Molecular Weight: 262.38778

Exact Mass: 262.19328

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Maatooq, G.T. Phytochemistry (2002) 59, 39-44

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Maalianes; 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) 28.9
2 (CH2) 25.6
3 (CH) 118.3
4 (C) 134.4
5 (CH) 42.1
6 (CH) 24.2
7 (CH) 22.1
8 (CH) 66.6
9 (CH2) 36.8
10 (C) 40.8
11 (C) 18.3
12 (CH3) 15.4
13 (CH3) 28.1
14 (CH3) 13.8
15 (CH3) 22.8
8a (C) 171
8b (CH3) 21.1