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5-(3,5-DINITROBENZOYL)-OMPHADIOL

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5-(3,5-DINITROBENZOYL)-OMPHADIOL
SpectraBase Compound ID CS061mwH15a
InChI InChI=1S/C22H28N2O7/c1-20(2)10-16-15(5-6-22(16,4)26)21(3)11-17(21)18(20)31-19(25)12-7-13(23(27)28)9-14(8-12)24(29)30/h7-9,15-18,26H,5-6,10-11H2,1-4H3/t15?,16-,17?,18+,21-,22+/m0/s1
InChIKey MWHWKBGSBYCHGS-UZXXXYSTSA-N
Mol Weight 432.47 g/mol
Molecular Formula C22H28N2O7
Exact Mass 432.189651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2G668g7nYj2
Name 5-(3,5-DINITROBENZOYL)-OMPHADIOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28N2O7
InChI InChI=1S/C22H28N2O7/c1-20(2)10-16-15(5-6-22(16,4)26)21(3)11-17(21)18(20)31-19(25)12-7-13(23(27)28)9-14(8-12)24(29)30/h7-9,15-18,26H,5-6,10-11H2,1-4H3/t15?,16-,17?,18+,21-,22+/m0/s1
InChIKey MWHWKBGSBYCHGS-UZXXXYSTSA-N
Literature Reference Author T.C.MCMORRIS,R.LIRA,P.K.GANTZEL,M.J.KELNER,R.DAWE
Literature Reference Citation J.NAT.PROD.,63,1557(2000)
Literature Reference DOI 10.1021/np9904760
Molecular Weight 432.474 g/mol
Solvent Unknown
Source File Reference UWRU8653