Spektraris NMR

Common Name: (10αH)-8-oxoeremophila-3(4),6(7)-diene-12,14-dioic

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H18O5/c1-8(13(17)18)10-7-15(2)9(6-12(10)16)4-3-5-11(15)14(19)20/h5,7-9H,3-4,6H2,1-2H3,(H,17,18)(H,19,20)/t8?,9-,15+/m1/s1

InChIKey: InChIKey=HBDIRPKYLOSISE-QWTSGDGFSA-N

Formula: C15H18O5

Molecular Weight: 278.300997

Exact Mass: 278.115424

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)