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2-amino-5-[(E)-4-ethyl-7,8-dihydroxy-non-5-enoyl]-6-hydroxy-7-methyl-1,4-naphthoquinone
SpectraBase Compound ID CX2hMPVjIEY
InChI InChI=1S/C22H27NO6/c1-4-13(5-7-16(25)12(3)24)6-8-17(26)20-19-14(9-11(2)21(20)28)22(29)15(23)10-18(19)27/h5,7,9-10,12-13,16,24-25,28H,4,6,8,23H2,1-3H3/b7-5+
InChIKey GTIVMMKITRHMAF-FNORWQNLSA-N
Mol Weight 401.46 g/mol
Molecular Formula C22H27NO6
Exact Mass 401.183838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KUubtqxwkJ
Name 2-amino-5-[(E)-4-ethyl-7,8-dihydroxy-non-5-enoyl]-6-hydroxy-7-methyl-1,4-naphthoquinone
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO6
InChI InChI=1S/C22H27NO6/c1-4-13(5-7-16(25)12(3)24)6-8-17(26)20-19-14(9-11(2)21(20)28)22(29)15(23)10-18(19)27/h5,7,9-10,12-13,16,24-25,28H,4,6,8,23H2,1-3H3/b7-5+
InChIKey GTIVMMKITRHMAF-FNORWQNLSA-N
Literature Reference Author P.CAI,F.KONG,M.E.RUPPEN,G.GLASIER,G.T.CARTER
Literature Reference Citation J.NAT.PROD.,68,1736(2005)
Literature Reference DOI 10.1021/np050272l
Molecular Weight 401.459 g/mol
Solvent DMSO-D6
Source File Reference UWMZ13148