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METHYL_2-HYDROXYOCTACOS-21-ENOIC_ACID
SpectraBase Compound ID I0l7fVlX2uR
InChI InChI=1S/C29H56O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(30)29(31)32-2/h8-9,28,30H,3-7,10-27H2,1-2H3/b9-8-/t28-/m0/s1
InChIKey DOFRIGKNTDYZMR-DBZYTVJNSA-N
Mol Weight 452.8 g/mol
Molecular Formula C29H56O3
Exact Mass 452.422946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3AVNCTTjoOu
Name METHYL_2-HYDROXYOCTACOS-21-ENOIC_ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H56O3
InChI InChI=1S/C29H56O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(30)29(31)32-2/h8-9,28,30H,3-7,10-27H2,1-2H3/b9-8-/t28-/m0/s1
InChIKey DOFRIGKNTDYZMR-DBZYTVJNSA-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 452.762 g/mol
Sample ID 31555
Solvent CD3OD