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METHYL_2-HYDROXYHEXACOS-17-ENOIC_ACID
SpectraBase Compound ID 2kpjcIKB6XT
InChI InChI=1S/C27H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(28)27(29)30-2/h10-11,26,28H,3-9,12-25H2,1-2H3/b11-10-/t26-/m0/s1
InChIKey IJLWBOCHMQCOED-SGAGCNABSA-N
Mol Weight 424.7 g/mol
Molecular Formula C27H52O3
Exact Mass 424.391646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FpOipHPVZw
Name METHYL_2-HYDROXYHEXACOS-17-ENOIC_ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H52O3
InChI InChI=1S/C27H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(28)27(29)30-2/h10-11,26,28H,3-9,12-25H2,1-2H3/b11-10-/t26-/m0/s1
InChIKey IJLWBOCHMQCOED-SGAGCNABSA-N
Literature Reference Author T.A.MANSOOR,P.B.SHINDE,X.LUO,J.HONG,C.O.LEE,C.J.SIM,B.W.SON, J.H.JUNG
Literature Reference Citation J.NAT.PROD.,70,1481(2007)
Literature Reference DOI 10.1021/np070078u
Molecular Weight 424.708 g/mol
Sample ID 31556
Solvent CD3OD