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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C20H24O5/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/h8,13-18H,1-2,4-7,9H2,3H3/t13-,14-,15+,16-,17-,18-/m0/s1

InChIKey: InChIKey=PHZLOFPYMVYKEF-PCCRXHMLSA-N

Formula: C20H24O5

Molecular Weight: 344.402321

Exact Mass: 344.162374

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
2 (CH2) 30.2
3 (CH2) 32.6
4 (C) 151.7
5 (CH) 51.8
6 (CH) 85.7
7 (CH) 48.1
8 (CH2) 32.4
9 (CH2) 37.7
10 (C) 149.8
11 (CH) 44.6
12 (C) 175.4
13 (CH2) 66.1
14 (CH2) 112
15 (CH2) 109.2
1' (CH) 102
2' (CH) 142.8
3' (C) 134.7
4' (C) 171.8
5' (CH3) 10.64