Acetic acid [(1aS)-1,1,3aalpha,7-tetramethyl-1aalpha,2,3,3a,4,5,7abeta,7balpha-octahydro-1H-cyclopropa[a]naphthalene]-4beta-yl ester

Acetic acid [(1aS)-1,1,3aalpha,7-tetramethyl-1aalpha,2,3,3a,4,5,7abeta,7balpha-octahydro-1H-cyclopropa[a]naphthalene]-4beta-yl ester

Common Name: Acetic acid [(1aS)-1,1,3aalpha,7-tetramethyl-1aalpha,2,3,3a,4,5,7abeta,7balpha-octahydro-1H-cyclopropa[a]naphthalene]-4beta-yl ester

Synonyms: Acetic acid [(1aS)-1,1,3aalpha,7-tetramethyl-1aalpha,2,3,3a,4,5,7abeta,7balpha-octahydro-1H-cyclopropa[a]naphthalene]-4beta-yl ester

CAS Registry Number:

InChI: InChI=1S/C17H26O2/c1-10-6-7-13(19-11(2)18)17(5)9-8-12-15(14(10)17)16(12,3)4/h6,12-15H,7-9H2,1-5H3/t12-,13-,14+,15-,17-/m0/s1

InChIKey: InChIKey=RZFJOHBYVTUAAJ-JBXGNFEISA-N

Formula: C17H26O2

Molecular Weight: 262.38778

Exact Mass: 262.19328

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Iguchi, K., Fukaya, T., Yasumoto, A., Watanabe, K. J Nat Prod (2004) 67, 577-83

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 (CH) 75.4
2 (CH2) 28.8
3 (CH) 116.5
4 (C) 135.7
5 (CH) 35.9
6 (CH) 22.1
7 (CH) 19.7
8 (CH2) 15.4
9 (CH2) 31.5
10 (C) 34.8
11 (C) 18.1
12 (CH3) 28.5
13 (CH3) 15.5
14 (CH3) 17.7
15 (CH3) 21
1a (C) 171
1b (CH3) 21.4