Spektraris NMR

Common Name: 3β-[(2-Methylbut-2-enoyl)oxy]eremophil-7(11)-en-12,8β-olid-14-oic

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O6/c1-5-10(2)18(23)25-14-7-6-12-8-15-13(11(3)19(24)26-15)9-20(12,4)16(14)17(21)22/h5,12,14-16H,6-9H2,1-4H3,(H,21,22)/b10-5-/t12-,14+,15-,16-,20+/m1/s1

InChIKey: InChIKey=XRNBWDCHEVBWJH-LHKNZVQYSA-N

Formula: C20H26O6

Molecular Weight: 362.417607

Exact Mass: 362.172939

NMR Solvent: CD3OD

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)