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CASEARLUCIN-C;REL-(2S,5R,6R,8S,9S,10R,18S,19R)-6,18,19-TRIACETOXY-18,19-EPOXY-2-(2-XI-METHYLBUTANOYLOXY)-CLERODA-3,12,14-TRIENE

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CASEARLUCIN-C;REL-(2S,5R,6R,8S,9S,10R,18S,19R)-6,18,19-TRIACETOXY-18,19-EPOXY-2-(2-XI-METHYLBUTANOYLOXY)-CLERODA-3,12,14-TRIENE
SpectraBase Compound ID L0LnlzsTTpI
InChI InChI=1S/C31H44O9/c1-10-17(3)12-13-30(9)19(5)14-26(36-20(6)32)31-24(28(37-21(7)33)40-29(31)38-22(8)34)15-23(16-25(30)31)39-27(35)18(4)11-2/h10,12,15,18-19,23,25-26,28-29H,1,11,13-14,16H2,2-9H3/b17-12+/t18?,19-,23+,25?,26+,28+,29-,30-,31-/m0/s1
InChIKey MGXDVAJVXQUVIN-CBUJSWIKSA-N
Mol Weight 560.7 g/mol
Molecular Formula C31H44O9
Exact Mass 560.298533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSGzKEvNtja
Name CASEARLUCIN-C;REL-(2S,5R,6R,8S,9S,10R,18S,19R)-6,18,19-TRIACETOXY-18,19-EPOXY-2-(2-XI-METHYLBUTANOYLOXY)-CLERODA-3,12,14-TRIENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H44O9
InChI InChI=1S/C31H44O9/c1-10-17(3)12-13-30(9)19(5)14-26(36-20(6)32)31-24(28(37-21(7)33)40-29(31)38-22(8)34)15-23(16-25(30)31)39-27(35)18(4)11-2/h10,12,15,18-19,23,25-26,28-29H,1,11,13-14,16H2,2-9H3/b17-12+/t18?,19-,23+,25?,26+,28+,29-,30-,31-/m0/s1
InChIKey MGXDVAJVXQUVIN-CBUJSWIKSA-N
Literature Reference Author C.V.S.PRAKASH,J.M.HOCH,D.G.I.KINGSTON
Literature Reference Citation J.NAT.PROD.,65,100(2002)
Literature Reference DOI 10.1021/np010405c
Molecular Weight 560.685 g/mol
Solvent CDCl3
Source File Reference UWSI2695