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)
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 |