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APETALINE_C

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APETALINE_C
SpectraBase Compound ID IS9elLByHyr
InChI InChI=1S/C32H39N5O6/c1-20(2)27(35-29(39)21(3)36(4)19-38)32(42)37-17-15-26-28(37)31(41)34-25(18-23-8-6-5-7-9-23)30(40)33-16-14-22-10-12-24(43-26)13-11-22/h5-14,16,19-21,25-28H,15,17-18H2,1-4H3,(H,33,40)(H,34,41)(H,35,39)/b16-14-/t21-,25+,26-,27+,28+/m1/s1
InChIKey VTDPXBHEENTWPJ-VJHDUARPSA-N
Mol Weight 589.7 g/mol
Molecular Formula C32H39N5O6
Exact Mass 589.290034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gc7qsaUAnEl
Name APETALINE_C
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H39N5O6
InChI InChI=1S/C32H39N5O6/c1-20(2)27(35-29(39)21(3)36(4)19-38)32(42)37-17-15-26-28(37)31(41)34-25(18-23-8-6-5-7-9-23)30(40)33-16-14-22-10-12-24(43-26)13-11-22/h5-14,16,19-21,25-28H,15,17-18H2,1-4H3,(H,33,40)(H,34,41)(H,35,39)/b16-14-/t21-,25+,26-,27+,28+/m1/s1
InChIKey VTDPXBHEENTWPJ-VJHDUARPSA-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 589.692 g/mol
Sample ID 39672
Solvent CDCl3