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(S)-1'-METHYLOCTYL-CAFFEATE
SpectraBase Compound ID 9oDP5kuib8b
InChI InChI=1S/C18H26O4/c1-3-4-5-6-7-8-14(2)22-18(21)12-10-15-9-11-16(19)17(20)13-15/h9-14,19-20H,3-8H2,1-2H3/b12-10+/t14-/m0/s1
InChIKey DEXGFPWDAXJBTA-WONIAPNHSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BMBCYZl1q1L
Name (S)-1'-METHYLOCTYL-CAFFEATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-3-4-5-6-7-8-14(2)22-18(21)12-10-15-9-11-16(19)17(20)13-15/h9-14,19-20H,3-8H2,1-2H3/b12-10+/t14-/m0/s1
InChIKey DEXGFPWDAXJBTA-WONIAPNHSA-N
Literature Reference Author B.J.CABANILLAS,A.C.LELAMER,D.CASTILLO,J.AREVALO,R.ROJAS,G.OD ONNE,G.BOURDY,B.MOUK
Literature Reference Citation J.NAT.PROD.,73,1884(2010)
Literature Reference DOI 10.1021/np1005357
Molecular Weight 306.402 g/mol
Sample ID 37047
Solvent CDCl3