1,1abeta,2,5,6,7,7aalpha,7bbeta-Octahydro-1alpha-(hydroxymethyl)-1,4,7beta-trimethyl-3H-cyclopropa[e]azulene-3-one

1,1abeta,2,5,6,7,7aalpha,7bbeta-Octahydro-1alpha-(hydroxymethyl)-1,4,7beta-trimethyl-3H-cyclopropa[e]azulene-3-one

Common Name: 1,1abeta,2,5,6,7,7aalpha,7bbeta-Octahydro-1alpha-(hydroxymethyl)-1,4,7beta-trimethyl-3H-cyclopropa[e]azulene-3-one

Synonyms: 1,1abeta,2,5,6,7,7aalpha,7bbeta-Octahydro-1alpha-(hydroxymethyl)-1,4,7beta-trimethyl-3H-cyclopropa[e]azulene-3-one

CAS Registry Number:

InChI: InChI=1S/C15H22O2/c1-8-4-5-10-9(2)12(17)6-11-14(13(8)10)15(11,3)7-16/h8,11,13-14,16H,4-7H2,1-3H3/t8-,11-,13-,14-,15-/m1/s1

InChIKey: InChIKey=FFODVFHYFVHCLI-ZENKMJSXSA-N

Formula: C15H22O2

Molecular Weight: 234.334545

Exact Mass: 234.16198

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Collins, D.O., Buchanan, G.O., Reynolds, W.F., Reese, P.B. Phytochemistry (2001) 57, 377-83

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aromadendranes; 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) 166
2 (CH2) 34
3 (CH2) 32.2
4 (CH) 37.3
5 (CH) 44.2
6 (CH) 27.7
7 (CH) 19.7
8 (CH2) 41.2
9 (C) 200.4
10 (C) 130.5
11 (C) 31.6
12 (CH2) 72
13 (CH3) 11.8
14 (CH3) 14.9
15 (CH3) 15.4