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SECOSUBAMOLIDE;METHYL-[(2-E)-2-[(1-S)-1-HYDROXY-2-OXOPROPYL]-HEXADEC-2-ENOATE]
SpectraBase Compound ID HYtDXWXmGnk
InChI InChI=1S/C20H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24-3)19(22)17(2)21/h16,19,22H,4-15H2,1-3H3/b18-16+/t19-/m0/s1
InChIKey GRBBECUHXQCEBW-YMIFCHIISA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID antHwZRxVx
Name SECOSUBAMOLIDE;METHYL-[(2-E)-2-[(1-S)-1-HYDROXY-2-OXOPROPYL]-HEXADEC-2-ENOATE]
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24-3)19(22)17(2)21/h16,19,22H,4-15H2,1-3H3/b18-16+/t19-/m0/s1
InChIKey GRBBECUHXQCEBW-YMIFCHIISA-N
Literature Reference Author C.Y.CHEN,C.H.CHEN,C.H.WONG,Y.W.LIU,Y.S.LIN,Y.D.WANG,Y.R.HSUI
Literature Reference Citation J.NAT.PROD.,70,103(2007)
Literature Reference DOI 10.1021/np060425k
Molecular Weight 340.503 g/mol
Sample ID 29533
Solvent CDCl3