SpectraBase Spectrum ID |
J2l4i7vYHz8 |
Name |
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 Number |
3 |
Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula |
C34H49ClO11 |
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 |
Literature Reference Author |
P.GUO,Y.LI,J.XU,C.LIU,Y.MA,Y.GUO |
Literature Reference Citation |
J.NAT.PROD.,74,1575(2011) |
Literature Reference DOI |
10.1021/np2001557 |
Molecular Weight |
669.209 g/mol |
Sample ID |
39015 |
Solvent |
CDCl3 |