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ACETYL-KOLAVENOATE;(5R,8R,9S,10R)-ENT-15-ETHANOYL-CLEROD-3,13-DIENE
SpectraBase Compound ID JcEZgwX7LMx
InChI InChI=1S/C22H36O2/c1-16(12-15-24-19(4)23)10-13-21(5)18(3)11-14-22(6)17(2)8-7-9-20(21)22/h8,12,18,20H,7,9-11,13-15H2,1-6H3/b16-12+/t18-,20-,21+,22+/m1/s1
InChIKey XAYGDGVRGSNBDV-VAZMCMGESA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLzcPUdrBS4
Name ACETYL-KOLAVENOATE;(5R,8R,9S,10R)-ENT-15-ETHANOYL-CLEROD-3,13-DIENE
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-16(12-15-24-19(4)23)10-13-21(5)18(3)11-14-22(6)17(2)8-7-9-20(21)22/h8,12,18,20H,7,9-11,13-15H2,1-6H3/b16-12+/t18-,20-,21+,22+/m1/s1
InChIKey XAYGDGVRGSNBDV-VAZMCMGESA-N
Literature Reference Author A.G.PACHECO,P.M.DEOLIVEIRA,D.PILO-VELOSO,A.F.D.C.ALCANTARA
Literature Reference Citation MOLECULES,14,1245(2009)
Literature Reference DOI 10.3390/molecules14031245
Molecular Weight 332.527 g/mol
Sample ID 69400
Solvent CDCl3