Eremophila-3,7(11),8-triene-12,8;14,6α-diolide

Eremophila-3,7(11),8-triene-12,8;14,6α-diolide

Common Name: Eremophila-3,7(11),8-triene-12,8;14,6α-diolide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H14O4/c1-7-11-10(18-13(7)16)6-8-4-3-5-9-14(17)19-12(11)15(8,9)2/h5-6,8,12H,3-4H2,1-2H3/t8-,12+,15+/m1/s1

InChIKey: InChIKey=QFJRSCRJWAVYQS-XHYYPMHDSA-N

Formula: C15H14O4

Molecular Weight: 258.269829

Exact Mass: 258.089209

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wang, X., Sun, L., Huang, K., Shi, S., Zhang, L., Xu, J., Peng, H., Sun, X., Wang, L., Wu, X., Zhao, Y., Li, X., Stockigt, J., Qu, J. Chem Biodivers (2009) 6, 1053-65

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) 22.4
2 (CH2) 23.4
3 (CH) 137.2
4 (C) 129.9
5 (C) 41.4
6 (CH) 82.2
7 (C) 148.1
8 (C) 141.7
9 (CH) 107.7
10 (CH) 36.4
11 (C) 127.2
12 (C) 168.5
13 (CH3) 9.3
14 (CH3) 26.5
15 (C) 169.8