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AJUGACILIATIN_H;(12-R)-6-ALPHA,19-DIACETOXY-1-BETA,12:4-ALPHA,18-DIEPOXY-NEO-CLEROD-13-EN-15,16-OLIDE
SpectraBase Compound ID 5TYSalVGhsP
InChI InChI=1S/C24H32O8/c1-13-7-19(31-15(3)26)24(12-29-14(2)25)21-17(5-6-23(24)11-30-23)32-18(9-22(13,21)4)16-8-20(27)28-10-16/h8,13,17-19,21H,5-7,9-12H2,1-4H3/t13-,17-,18-,19+,21-,22+,23+,24-/m1/s1
InChIKey XWFHCQHFLICJMD-ILXDFJSXSA-N
Mol Weight 448.5 g/mol
Molecular Formula C24H32O8
Exact Mass 448.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K1HGCPSEXJp
Name AJUGACILIATIN_H;(12-R)-6-ALPHA,19-DIACETOXY-1-BETA,12:4-ALPHA,18-DIEPOXY-NEO-CLEROD-13-EN-15,16-OLIDE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H32O8
InChI InChI=1S/C24H32O8/c1-13-7-19(31-15(3)26)24(12-29-14(2)25)21-17(5-6-23(24)11-30-23)32-18(9-22(13,21)4)16-8-20(27)28-10-16/h8,13,17-19,21H,5-7,9-12H2,1-4H3/t13-,17-,18-,19+,21-,22+,23+,24-/m1/s1
InChIKey XWFHCQHFLICJMD-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 448.513 g/mol
Sample ID 39020
Solvent CDCl3