Spektraris NMR

Common Name: (1R,2R,7R,11S,12S,15S,17S)-17-(3-Furyl)-2-methyl-14,16-dioxa-5-azapentacyclo[9.7.0.01,15.04,12.07,12]octadec-4-en-7-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H25NO4/c1-12-7-16-20-11-24-17-19(12,8-14(25-17)13-4-6-23-9-13)15(20)3-2-5-18(20,22)10-21-16/h4,6,9,12,14-15,17,22H,2-3,5,7-8,10-11H2,1H3/t12-,14+,15-,17?,18+,19-,20+/m1/s1

InChIKey: InChIKey=DBYPAARSEOPDEH-FWVNZNOQSA-N

Formula: C20H25N1O4

Molecular Weight: 343.4176

Exact Mass: 343.178358

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Malakov, P.Y., Papanov, G.Y., Rodriguez, B., Delatorre, M.C., Simmonds, M.S.J., Blaney, W.M., Boneva, I.M. Phytochemistry (1994) 37, 147-57

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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)