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SMXQJYKLBKWZEZ-UHFFFAOYSA-N
SpectraBase Compound ID FIjgdBsAPzU
InChI InChI=1S/C21H26O4/c1-12(2)9-17(22)24-11-16-18-13(3)7-6-8-15(18)20(23-5)21-19(16)14(4)10-25-21/h6,8,10,12-13H,7,9,11H2,1-5H3
InChIKey SMXQJYKLBKWZEZ-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYIdNn7MIle
Name 14-ISOVALERYLOXY-O-METHYL-1,2-DEHYDROCACALOL
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-12(2)9-17(22)24-11-16-18-13(3)7-6-8-15(18)20(23-5)21-19(16)14(4)10-25-21/h6,8,10,12-13H,7,9,11H2,1-5H3
InChIKey SMXQJYKLBKWZEZ-UHFFFAOYSA-N
Literature Reference Author E.BURGUENO-TAPIA,M.A.BUCIO,A.RIVERA,P.JOSEPH-NATHAN
Literature Reference Citation J.NAT.PROD.,64,518(2001)
Literature Reference DOI 10.1021/np000257a
Molecular Weight 342.435 g/mol
Solvent CDCl3
Source File Reference UWRU9378