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APETALINE_A
SpectraBase Compound ID DY0ONIa9JuU
InChI InChI=1S/C30H35N5O6/c1-18(2)25(33-27(36)19(3)34-40)30(39)35-16-14-24-26(35)29(38)32-23(17-21-7-5-4-6-8-21)28(37)31-15-13-20-9-11-22(41-24)12-10-20/h4-13,15,18,23-26,40H,14,16-17H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)/b15-13-,34-19+/t23-,24-,25-,26-/m0/s1
InChIKey FADRDHDLIJSOGO-FVLGKSNVSA-N
Mol Weight 561.6 g/mol
Molecular Formula C30H35N5O6
Exact Mass 561.258734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5idPxISxVXS
Name APETALINE_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34N5O6
InChI InChI=1S/C30H35N5O6/c1-18(2)25(33-27(36)19(3)34-40)30(39)35-16-14-24-26(35)29(38)32-23(17-21-7-5-4-6-8-21)28(37)31-15-13-20-9-11-22(41-24)12-10-20/h4-13,15,18,23-26,40H,14,16-17H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)/b15-13-,34-19+/t23-,24-,25-,26-/m0/s1
InChIKey FADRDHDLIJSOGO-FVLGKSNVSA-N
Literature Reference Author J.HAN,C.J.JI,W.J.HE,Y.SHEN,Y.LENG,W.Y.XU,J.T.FAN,G.Z.ZENG,L. D.KONG,N.H.TAN
Literature Reference Citation J.NAT.PROD.,74,2571(2011)
Literature Reference DOI 10.1021/np200755t
Molecular Weight 560.630 g/mol
Sample ID 39666
Solvent CDCl3