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SECOTENUIFOLIDE_A;METHYL-(2-E)-2-[(1-R)-1-HYDROXY-2-OXOPROPYL]-HEPTACOS-2-ENOATE
SpectraBase Compound ID 78zT33cBSAw
InChI InChI=1S/C31H58O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29(31(34)35-3)30(33)28(2)32/h27,30,33H,4-26H2,1-3H3/b29-27+/t30-/m0/s1
InChIKey RTQSGVCMOOHGNW-DHDJNVLLSA-N
Mol Weight 494.8 g/mol
Molecular Formula C31H58O4
Exact Mass 494.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYpEFQWNoa5
Name SECOTENUIFOLIDE_A;METHYL-(2-E)-2-[(1-R)-1-HYDROXY-2-OXOPROPYL]-HEPTACOS-2-ENOATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H58O4
InChI InChI=1S/C31H58O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29(31(34)35-3)30(33)28(2)32/h27,30,33H,4-26H2,1-3H3/b29-27+/t30-/m0/s1
InChIKey RTQSGVCMOOHGNW-DHDJNVLLSA-N
Literature Reference Author R.J.LIN,M.J.CHENG,J.C.HUANG,W.L.LO,Y.T.YEH,C.M.YEN,C.M.LU,C. Y.CHEN
Literature Reference Citation J.NAT.PROD.,72,1816(2009)
Literature Reference DOI 10.1021/np900225p
Molecular Weight 494.799 g/mol
Sample ID 33709
Solvent CDCl3