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AJUGACILIATIN_G;(12-R)-6-ALPHA,19-DIACETOXY-1-BETA,12-EPOXY-4-ALPHA,18-DIHYDROXY-NEO-CLEROD-13-EN-15,16-OLIDE
SpectraBase Compound ID 8YIs6keUMF5
InChI InChI=1S/C24H34O9/c1-13-7-19(32-15(3)27)24(12-31-14(2)26)21-17(5-6-23(24,29)11-25)33-18(9-22(13,21)4)16-8-20(28)30-10-16/h8,13,17-19,21,25,29H,5-7,9-12H2,1-4H3/t13-,17-,18-,19+,21-,22+,23+,24-/m1/s1
InChIKey ROPQJIBJNYFSAT-ILXDFJSXSA-N
Mol Weight 466.5 g/mol
Molecular Formula C24H34O9
Exact Mass 466.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C31rzqlnLnD
Name AJUGACILIATIN_G;(12-R)-6-ALPHA,19-DIACETOXY-1-BETA,12-EPOXY-4-ALPHA,18-DIHYDROXY-NEO-CLEROD-13-EN-15,16-OLIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H34O9
InChI InChI=1S/C24H34O9/c1-13-7-19(32-15(3)27)24(12-31-14(2)26)21-17(5-6-23(24,29)11-25)33-18(9-22(13,21)4)16-8-20(28)30-10-16/h8,13,17-19,21,25,29H,5-7,9-12H2,1-4H3/t13-,17-,18-,19+,21-,22+,23+,24-/m1/s1
InChIKey ROPQJIBJNYFSAT-ILXDFJSXSA-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 466.529 g/mol
Sample ID 39019
Solvent CDCl3