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2-OXODIHYDRO-KOLAVENOL-ACETATE;(5R,8R,9S,10R)-2-OXO-ENT-15-ETHANOYL-3-CLERODENE
SpectraBase Compound ID HFCWj8aqwYU
InChI InChI=1S/C22H36O3/c1-15(9-12-25-18(4)23)7-10-21(5)16(2)8-11-22(6)17(3)13-19(24)14-20(21)22/h13,15-16,20H,7-12,14H2,1-6H3/t15?,16-,20-,21+,22+/m1/s1
InChIKey AZCGWHNPUYMEMR-QMIFLHFMSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yMvtNHRjNw
Name 2-OXODIHYDRO-KOLAVENOL-ACETATE;(5R,8R,9S,10R)-2-OXO-ENT-15-ETHANOYL-3-CLERODENE
Compound Number 46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-15(9-12-25-18(4)23)7-10-21(5)16(2)8-11-22(6)17(3)13-19(24)14-20(21)22/h13,15-16,20H,7-12,14H2,1-6H3/t15?,16-,20-,21+,22+/m1/s1
InChIKey AZCGWHNPUYMEMR-QMIFLHFMSA-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 348.526 g/mol
Sample ID 69411
Solvent CDCl3