4-Oxo-5(6),11-eudesmadiene-8,12-olide

4-Oxo-5(6),11-eudesmadiene-8,12-olide

Common Name: 4-Oxo-5(6),11-eudesmadiene-8,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C14H16O3/c1-8-9-6-10-11(15)4-3-5-14(10,2)7-12(9)17-13(8)16/h6,9,12H,1,3-5,7H2,2H3/t9-,12-,14-/m1/s1

InChIKey: InChIKey=MVUOIVFSPUITKN-GAJTVXKRSA-N

Formula: C14H16O3

Molecular Weight: 232.275569

Exact Mass: 232.109944

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Huo, Y., Shi, H.M., Wang, M.Y., Li, X.B. Magn Reson Chem (2008) 46, 1208-11

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) 38.8
2 (CH2) 18.6
3 (CH2) 40.3
4 (C) 201
5 (C) 144.1
6 (CH) 128.8
7 (CH) 39.1
8 (CH) 75.2
9 (CH2) 39.8
10 (C) 34.4
11 (C) 136.9
12 (C) 169.2
13 (CH2) 124.3
14 (CH3) 26.6