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TRIGONOCHINENE_B;METHYL_8-ALPHA-HYDROXY-12-OXO-3,4-SCEOCLEISTANTH-9-(11),13,15,19-(4)-TETRAEN-3-OATE
SpectraBase Compound ID Cjelzq4d1GS
InChI InChI=1S/C21H28O4/c1-7-15-14(4)17(22)12-18-20(5,10-9-19(23)25-6)16(13(2)3)8-11-21(15,18)24/h7,12,16,24H,1-2,8-11H2,3-6H3/t16-,20-,21+/m1/s1
InChIKey ZFLNGJFWUHGMKC-HBGVWJBISA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IcxSKtg4OO4
Name TRIGONOCHINENE_B;METHYL_8-ALPHA-HYDROXY-12-OXO-3,4-SCEOCLEISTANTH-9-(11),13,15,19-(4)-TETRAEN-3-OATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-7-15-14(4)17(22)12-18-20(5,10-9-19(23)25-6)16(13(2)3)8-11-21(15,18)24/h7,12,16,24H,1-2,8-11H2,3-6H3/t16-,20-,21+/m1/s1
InChIKey ZFLNGJFWUHGMKC-HBGVWJBISA-N
Literature Reference Author S.YIN,Z.S.SU,Z.W.ZHOU,L.DONG,J.M.YUE
Literature Reference Citation J.NAT.PROD.,71,1414(2008)
Literature Reference DOI 10.1021/np800256x
Molecular Weight 344.451 g/mol
Sample ID 28482
Solvent CDCl3