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12-(4-AMINOPHENYL)-10-HYDROXY-6-(1-HYDROXYETHYL)-7,9-DIMETHYL-12-OXODODECA-2,4-DIENOIC_ACID
SpectraBase Compound ID 5TqAofkolag
InChI InChI=1S/C22H31NO5/c1-14(19(16(3)24)6-4-5-7-22(27)28)12-15(2)20(25)13-21(26)17-8-10-18(23)11-9-17/h4-11,14-16,19-20,24-25H,12-13,23H2,1-3H3,(H,27,28)/b6-4-,7-5-
InChIKey KCSUEQGOSJTUAZ-PEPZGXQESA-N
Mol Weight 389.49 g/mol
Molecular Formula C22H31NO5
Exact Mass 389.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FJ6mRFiAZL
Name 12-(4-AMINOPHENYL)-10-HYDROXY-6-(1-HYDROXYETHYL)-7,9-DIMETHYL-12-OXODODECA-2,4-DIENOIC_ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO5
InChI InChI=1S/C22H31NO5/c1-14(19(16(3)24)6-4-5-7-22(27)28)12-15(2)20(25)13-21(26)17-8-10-18(23)11-9-17/h4-11,14-16,19-20,24-25H,12-13,23H2,1-3H3,(H,27,28)/b6-4-,7-5-
InChIKey KCSUEQGOSJTUAZ-PEPZGXQESA-N
Literature Reference Author S.H.GUAN,I.SATTLER,W.H.LIN,D.A.GUO,S.GRABLEY
Literature Reference Citation J.NAT.PROD.,68,1198(2005)
Literature Reference DOI 10.1021/np0500777
Molecular Weight 389.492 g/mol
Solvent CD3OD
Source File Reference UWMZ13274