Spektraris NMR

Common Name: 2,3,3abeta,4,5,6,6abeta,7,8,9,9abeta,9balpha-Dodecahydro-3-hydroxy-3alpha-[[(2R)-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-3-hydroxy-3alpha-[[(2R)-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/C20H24O6/c1-10-5-7-14-17(16-11(2)4-6-13(10)16)26-19(22)20(14,23)9-24-15-8-12(3)18(21)25-15/h8,13-17,23H,1-2,4-7,9H2,3H3/t13-,14+,15+,16-,17-,20-/m0/s1

InChIKey: InChIKey=QSBJIDIPYCTMEW-WVMITNOHSA-N

Formula: C20H24O6

Molecular Weight: 360.401726

Exact Mass: 360.157289

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)