AJUGACILIATIN_C;(12-S,2'''-S)-6-ALPHA,19-DIACETOXY-18-CHLORO-4-ALPHA-HYDROXY-12-(2-METHYLBUTANOYLOXY)-1-BETA-TIGLOYLOXY-NEO-CLEROD-13-EN-15,16-OLIDE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 5oTvQmELCqO |
|---|---|
| InChI | InChI=1S/C34H49ClO11/c1-9-19(3)30(39)45-25-11-12-33(41,17-35)34(18-43-22(6)36)27(44-23(7)37)13-21(5)32(8,29(25)34)15-26(24-14-28(38)42-16-24)46-31(40)20(4)10-2/h9,14,20-21,25-27,29,41H,10-13,15-18H2,1-8H3/b19-9+/t20-,21+,25+,26-,27-,29+,32-,33-,34+/m0/s1 |
| InChIKey | FSGBQFACPORIQG-FKSBINAYSA-N |
| Mol Weight | 669.2 g/mol |
| Molecular Formula | C34H49ClO11 |
| Exact Mass | 668.29634 g/mol |
| Enantiomer InChIKey | FSGBQFACPORIQG-VFKSMCSDSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Title | Journal or Book | Year |
|---|---|---|
| Bioactive neo-Clerodane Diterpenoids from the Whole Plants of Ajuga ciliata Bunge | Journal of Natural Products | 2011 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.