(3E)-2,3,3abeta,4,5,6,6abeta,7,8,9,9abeta,9balpha-Dodecahydro-3-[[(2S)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxymethylene]-6,9-bismethyleneazuleno[4,5-b]furan-2-one

(3E)-2,3,3abeta,4,5,6,6abeta,7,8,9,9abeta,9balpha-Dodecahydro-3-[[(2S)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxymethylene]-6,9-bismethyleneazuleno[4,5-b]furan-2-one

Common Name: (3E)-2,3,3abeta,4,5,6,6abeta,7,8,9,9abeta,9balpha-Dodecahydro-3-[[(2S)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxymethylene]-6,9-bismethyleneazuleno[4,5-b]furan-2-one

Synonyms: (3E)-2,3,3abeta,4,5,6,6abeta,7,8,9,9abeta,9balpha-Dodecahydro-3-[[(2S)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxymethylene]-6,9-bismethyleneazuleno[4,5-b]furan-2-one

CAS Registry Number:

InChI: InChI=1S/C20H22O5/c1-10-4-7-14-15(9-23-16-8-12(3)19(21)24-16)20(22)25-18(14)17-11(2)5-6-13(10)17/h8-9,13-14,16-18H,1-2,4-7H2,3H3/b15-9+/t13-,14-,16-,17-,18-/m0/s1

InChIKey: InChIKey=KTRKNPTVIOKJGA-ZMKNNRJOSA-N

Formula: C20H22O5

Molecular Weight: 342.386439

Exact Mass: 342.146724

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Macias, F.A., Garcia-Diaz, M.D., Perez-de-Luque, A., Rubiales, D., Galindo, J.C.G. J Agric Food Chem (2009) 57, 5853-64

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) 47.9
2 (CH2) 30.3
3 (CH2) 32.5
4 (C) 151.5
5 (CH) 51.9
6 (CH) 85.2
7 (CH) 43.4
8 (CH2) 29.8
9 (CH2) 35.7
10 (C) 149
11 (C) 112
12 (C) 171.3
13 (CH) 150.4
14 (CH2) 112.7
15 (CH2) 109.7
1' (CH) 100.6
2' (CH) 140.7
3' (C) 136.1
4' (C) 170.2
5' (CH3) 10.8