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7-OXO-ABIETA-8,11,13-TRIEN-18-YL-HEXADECANOATE
SpectraBase Compound ID Ly0hFg9tykM
InChI InChI=1S/C36H58O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-34(38)39-27-35(4)23-19-24-36(5)31-22-21-29(28(2)3)25-30(31)32(37)26-33(35)36/h21-22,25,28,33H,6-20,23-24,26-27H2,1-5H3/t33-,35-,36+/m0/s1
InChIKey MNBBDLGYRHAIGE-REAFWAPUSA-N
Mol Weight 538.9 g/mol
Molecular Formula C36H58O3
Exact Mass 538.438596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlmCJaiQdsu
Name 7-OXO-ABIETA-8,11,13-TRIEN-18-YL-HEXADECANOATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H58O3
InChI InChI=1S/C36H58O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-34(38)39-27-35(4)23-19-24-36(5)31-22-21-29(28(2)3)25-30(31)32(37)26-33(35)36/h21-22,25,28,33H,6-20,23-24,26-27H2,1-5H3/t33-,35-,36+/m0/s1
InChIKey MNBBDLGYRHAIGE-REAFWAPUSA-N
Literature Reference Author A.M.L.SECA,A.M.S.SILVA,I.L.BAZZOCCHI,I.A.JIMENEZ
Literature Reference Citation PHYTOCHEM.,69,498(2008)
Literature Reference DOI 10.1016/j.phytochem.2007.07.026
Molecular Weight 538.855 g/mol
Sample ID 44752
Solvent CDCl3