Spektraris NMR

Common Name: 1-Oxo-2-[3-butanone]-3-methyl-6-[2-propanoicacid]-cyclohexane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C14H22O4/c1-8-4-6-12(10(3)14(17)18)13(16)11(8)7-5-9(2)15/h8,10-12H,4-7H2,1-3H3,(H,17,18)/t8-,10-,11+,12+/m1/s1

InChIKey: InChIKey=SRIAUFRKRAJBGZ-YJQGPUDQSA-N

Formula: C14H22O4

Molecular Weight: 254.322619

Exact Mass: 254.151809

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Brown, G.D., Liang, G.Y., Sy, L.K. Phytochemistry (2003) 64, 303-23

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Amorphanes; 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)