Spektraris NMR

Common Name: (3E)-2,3,3abeta,4,5,6,6abeta,7,8,9,9abeta,9balpha-Dodecahydro-3-[[(2R)-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-[[(2R)-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-CTHFYHGBSA-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)