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TUMONOIC_ACID_E
SpectraBase Compound ID 5g9yW6YEfw2
InChI InChI=1S/C18H31NO4/c1-5-6-8-12(2)11-13(3)16(20)14(4)17(21)19-10-7-9-15(19)18(22)23/h11-12,14-16,20H,5-10H2,1-4H3,(H,22,23)/b13-11+/t12?,14-,15-,16-/m0/s1
InChIKey UUFOMZNZQYHUJH-UKUODDPASA-N
Mol Weight 325.45 g/mol
Molecular Formula C18H31NO4
Exact Mass 325.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BQNLndCBVZ
Name TUMONOIC_ACID_E
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H31NO4
InChI InChI=1S/C18H31NO4/c1-5-6-8-12(2)11-13(3)16(20)14(4)17(21)19-10-7-9-15(19)18(22)23/h11-12,14-16,20H,5-10H2,1-4H3,(H,22,23)/b13-11+/t12?,14-,15-,16-/m0/s1
InChIKey UUFOMZNZQYHUJH-UKUODDPASA-N
Literature Reference Author B.R.CLARK,N.ENGENE,M.E.TEASDALE,D.C.ROWLEY,T.MATAINAHO,F.A.V ALERIOTE,W.H.GERWICK
Literature Reference Citation J.NAT.PROD.,71,1530(2008)
Literature Reference DOI 10.1021/np800088a
Molecular Weight 325.448 g/mol
Sample ID 29011
Solvent CDCl3