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APETALINE_B

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APETALINE_B
SpectraBase Compound ID 4wP6NQwBeyp
InChI InChI=1S/C32H39N5O5/c1-20(2)27(37-19-35(4)21(3)31(37)40)32(41)36-17-15-26-28(36)30(39)34-25(18-23-8-6-5-7-9-23)29(38)33-16-14-22-10-12-24(42-26)13-11-22/h5-14,16,20-21,25-28H,15,17-19H2,1-4H3,(H,33,38)(H,34,39)/b16-14-/t21-,25-,26+,27-,28-/m0/s1
InChIKey NHMXYUDLGWLVHY-APCXUUCGSA-N
Mol Weight 573.7 g/mol
Molecular Formula C32H39N5O5
Exact Mass 573.295119 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSJPLoSFfIC
Name APETALINE_B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H39N5O5
InChI InChI=1S/C32H39N5O5/c1-20(2)27(37-19-35(4)21(3)31(37)40)32(41)36-17-15-26-28(36)30(39)34-25(18-23-8-6-5-7-9-23)29(38)33-16-14-22-10-12-24(42-26)13-11-22/h5-14,16,20-21,25-28H,15,17-19H2,1-4H3,(H,33,38)(H,34,39)/b16-14-/t21-,25-,26+,27-,28-/m0/s1
InChIKey NHMXYUDLGWLVHY-APCXUUCGSA-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 573.692 g/mol
Sample ID 39668
Solvent C5D5N