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XKAQLEUZKCCIDB-GLUQKTECSA-N

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XKAQLEUZKCCIDB-GLUQKTECSA-N
SpectraBase Compound ID FmDSOPd7em2
InChI InChI=1S/C25H38O5/c1-20(13-9-6-4-5-7-10-14-22-15-11-8-12-16-22)17-24(3)18-21(2)25(28,30-29-24)19-23(26)27/h8,10-12,14-16,20-21,28H,4-7,9,13,17-19H2,1-3H3,(H,26,27)/b14-10+/t20?,21-,24+,25+/m1/s1
InChIKey XKAQLEUZKCCIDB-GLUQKTECSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BhbYjPgfXwZ
Name XKAQLEUZKCCIDB-GLUQKTECSA-N
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-20(13-9-6-4-5-7-10-14-22-15-11-8-12-16-22)17-24(3)18-21(2)25(28,30-29-24)19-23(26)27/h8,10-12,14-16,20-21,28H,4-7,9,13,17-19H2,1-3H3,(H,26,27)/b14-10+/t20?,21-,24+,25+/m1/s1
InChIKey XKAQLEUZKCCIDB-GLUQKTECSA-N
Literature Reference Author E.MANZO,M.L.CIAVATTA,D.MELCK,P.SCHUPP,N.DEVOOGD,M.GAVAGNIN
Literature Reference Citation J.NAT.PROD.,72,1547(2009)
Literature Reference DOI 10.1021/np900310j
Molecular Weight 418.574 g/mol
Sample ID 33431
Solvent CDCl3