Spektraris NMR

Common Name: Methyl (2S,3S)-nilate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C6H12O3/c1-4(5(2)7)6(8)9-3/h4-5,7H,1-3H3/t4-,5-/m0/s1

InChIKey: InChIKey=FFJMPYODEQVBEX-WHFBIAKZSA-N

Formula: C6H12O3

Molecular Weight: 132.157919

Exact Mass: 132.078644

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Huang, X.Z., Wang, Y.H., Yu, S.S., Fu, G.M., Hu, Y.C., Liu, Y., Fan, L.H. J Nat Prod (2005) 68, 1646-50

Species:

Notes: Family : Aliphatics, Type : Lipids, Group : Fatty-acids; 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)