Eupatorone

Eupatorone

Common Name: Eupatorone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C16H20O4/c1-8-6-14(19)16(10(3)17)13-5-9(2)15(7-12(8)13)20-11(4)18/h5,8,12,15H,6-7H2,1-4H3/t8-,12+,15+/m0/s1

InChIKey: InChIKey=ASWJAMHXDPXJPL-IBRIGMFSSA-N

Formula: C16H20O4

Molecular Weight: 276.328209

Exact Mass: 276.136159

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wang, M.Z., Zhang, Y.Y., Li, S.L., Cai, X.H., Luo, X.D. Helv Chim Acta (2006) 89, 3104-8

Species:

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

Carbon NMR Peaks

Position PPM
1 (CH) 41.3
2 (CH2) 32.6
3 (CH) 71.3
4 (C) 150.9
5 (CH) 123.7
6 (C) 152.4
7 (C) 135.7
8 (C) 196.8
9 (CH2) 46
10 (CH) 34
11 (C) 204.3
12 (CH3) 32
14 (CH3) 19.7
15 (CH3) 19.2
3a (C) 170.4
3b (CH3) 20.9