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ENT-12-OXO-2,3-SECOBEYER-15-ENE-2,3-DIOIC-ACID-DIMETHYLESTER
SpectraBase Compound ID IhJiBtUg5FR
InChI InChI=1S/C22H32O5/c1-19(2,18(25)27-6)14-7-8-22-10-9-20(3,13-22)16(23)11-15(22)21(14,4)12-17(24)26-5/h9-10,14-15H,7-8,11-13H2,1-6H3/t14-,15+,20-,21-,22+/m1/s1
InChIKey KMHBEEJSWAKFAQ-SPLWUESBSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Df5AXy33rfO
Name ENT-12-OXO-2,3-SECOBEYER-15-ENE-2,3-DIOIC-ACID-DIMETHYLESTER
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-19(2,18(25)27-6)14-7-8-22-10-9-20(3,13-22)16(23)11-15(22)21(14,4)12-17(24)26-5/h9-10,14-15H,7-8,11-13H2,1-6H3/t14-,15+,20-,21-,22+/m1/s1
InChIKey KMHBEEJSWAKFAQ-SPLWUESBSA-N
Literature Reference Author T.KONISHI,K.YAMAZOE,T.KONOSHIMA,Y.FUJIWARA
Literature Reference Citation PHYTOCHEM.,64,835(2003)
Literature Reference DOI 10.1016/j.phytochem.2003.09.001
Molecular Weight 376.493 g/mol
Solvent CDCl3
Source File Reference UWKP5815