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(-)-8'-OXO-AGELASINE_D
SpectraBase Compound ID 9fFBASaxVP7
InChI InChI=1S/C26H39N5O/c1-17(12-15-31-21-22(27)28-16-29-23(21)30(6)24(31)32)8-10-19-18(2)9-11-20-25(3,4)13-7-14-26(19,20)5/h12,16,19-20H,2,7-11,13-15H2,1,3-6H3,(H2,27,28,29)/b17-12+/t19-,20-,26+/m1/s1
InChIKey ALKCILAUEYWKPP-PJYQPWIOSA-N
Mol Weight 437.6 g/mol
Molecular Formula C26H39N5O
Exact Mass 437.315461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTC5MVw4sVU
Name (-)-8'-OXO-AGELASINE_D
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H39N5O
InChI InChI=1S/C26H39N5O/c1-17(12-15-31-21-22(27)28-16-29-23(21)30(6)24(31)32)8-10-19-18(2)9-11-20-25(3,4)13-7-14-26(19,20)5/h12,16,19-20H,2,7-11,13-15H2,1,3-6H3,(H2,27,28,29)/b17-12+/t19-,20-,26+/m1/s1
InChIKey ALKCILAUEYWKPP-PJYQPWIOSA-N
Literature Reference Author F.YANG,M.T.HAMANN,Y.ZOU,M.Y.ZHANG,X.B.GONG,J.R.XIAO,W.S.CHEN ,H.W.LIN
Literature Reference Citation J.NAT.PROD.,75,774(2012)
Literature Reference DOI 10.1021/np2009016
Molecular Weight 437.629 g/mol
Sample ID 40355
Solvent CDCl3