Spektraris NMR

Common Name: (3R)-3abeta,4,5,6,6a,9,9abeta,9balpha-Octahydro-6abeta-(hydroperoxy)-3beta-(hydroxymethyl)-4beta,6beta,9alpha-trihydroxy-6,9-dimethylazuleno[4,5-b]furan-2(3H)-one

Synonyms: (3R)-3abeta,4,5,6,6a,9,9abeta,9balpha-Octahydro-6abeta-(hydroperoxy)-3beta-(hydroxymethyl)-4beta,6beta,9alpha-trihydroxy-6,9-dimethylazuleno[4,5-b]furan-2(3H)-one

CAS Registry Number:

InChI: InChI=1S/C15H22O8/c1-13(19)3-4-15(23-21)11(13)10-9(7(6-16)12(18)22-10)8(17)5-14(15,2)20/h3-4,7-11,16-17,19-21H,5-6H2,1-2H3/t7-,8-,9+,10-,11-,13-,14+,15-/m0/s1

InChIKey: InChIKey=FAEGAUFRSWMWGU-LSSUBMIMSA-N

Formula: C15H22O8

Molecular Weight: 330.330974

Exact Mass: 330.131468

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Li, H., Meng, J.C., Cheng, C.H., Higa, T., Tanaka, J., Tan, R.X. J Nat Prod (1999) 62, 1053-5

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)