1abeta,2,3,5,6,7,7aalpha,7bbeta-Octahydro-1alpha,4,7beta-trimethyl-5-oxo-1H-cyclopropa[e]azulene-1-carboxylic acid

1abeta,2,3,5,6,7,7aalpha,7bbeta-Octahydro-1alpha,4,7beta-trimethyl-5-oxo-1H-cyclopropa[e]azulene-1-carboxylic acid

Common Name: 1abeta,2,3,5,6,7,7aalpha,7bbeta-Octahydro-1alpha,4,7beta-trimethyl-5-oxo-1H-cyclopropa[e]azulene-1-carboxylic acid

Synonyms: 1abeta,2,3,5,6,7,7aalpha,7bbeta-Octahydro-1alpha,4,7beta-trimethyl-5-oxo-1H-cyclopropa[e]azulene-1-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C15H20O3/c1-7-4-5-9-13(15(9,3)14(17)18)12-8(2)6-10(16)11(7)12/h8-9,12-13H,4-6H2,1-3H3,(H,17,18)/t8-,9-,12-,13-,15+/m1/s1

InChIKey: InChIKey=ZLDWHGMNNJQVOS-FRCJOOGCSA-N

Formula: C15H20O3

Molecular Weight: 248.318068

Exact Mass: 248.141245

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Staerk, D., Skole, B., Jorgensen, F.S., Budnik, B.A., Ekpe, P., Jaroszewski, J.W. J Nat Prod (2004) 67, 799-805

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) 133
2 (C) 206.7
3 (CH2) 47.4
4 (CH) 29.4
5 (CH) 38.4
6 (CH) 31.7
7 (CH) 27.6
8 (CH2) 20.3
9 (CH2) 37.8
10 (C) 151.6
11 (C) 26.2
12 (CH3) 9.3
13 (C) 181.5
14 (CH3) 21.4
15 (CH3) 16.5