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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C16H20O4/c1-7-5-11(18)13-8(2)10(17)6-9-14(12(7)13)16(9,3)15(19)20-4/h7,9,12,14H,5-6H2,1-4H3/t7-,9-,12-,14-,16+/m1/s1

InChIKey: InChIKey=DVRNYLNCJQKRMR-MSMMXJMOSA-N

Formula: C16H20O4

Molecular Weight: 276.328209

Exact Mass: 276.136159

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) 145.4
2 (C) 207.7
3 (CH2) 47.5
4 (CH) 29.2
5 (CH) 42.4
6 (CH) 32.2
7 (CH) 23.5
8 (CH2) 40.4
9 (C) 200.6
10 (C) 143
11 (C) 31.2
12 (CH3) 10.1
13 (C) 174.5
14 (CH3) 13.3
15 (CH3) 16.4
13a (CH3) 52.4