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N-(4-amino-6-methylaminopyrimidin-5-yl)-N-[(2E,6E)-3,7-dimethyl-9-[(1R,6S)-1,2,6-trimethyl-1-cyclohex-2-enyl]nona-2,6-dienyl]formamide

View entire compound with spectra: 1 NMR

N-(4-amino-6-methylaminopyrimidin-5-yl)-N-[(2E,6E)-3,7-dimethyl-9-[(1R,6S)-1,2,6-trimethyl-1-cyclohex-2-enyl]nona-2,6-dienyl]formamide
SpectraBase Compound ID 4ayhS1Avp4K
InChI InChI=1S/C26H41N5O/c1-19(13-15-26(5)21(3)11-8-12-22(26)4)9-7-10-20(2)14-16-31(18-32)23-24(27)29-17-30-25(23)28-6/h9,11,14,17-18,22H,7-8,10,12-13,15-16H2,1-6H3,(H3,27,28,29,30)/b19-9+,20-14+/t22-,26-/m0/s1
InChIKey NFOOQBRCQVDNGM-BEHXQNNVSA-N
Mol Weight 439.6 g/mol
Molecular Formula C26H41N5O
Exact Mass 439.331111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7h1LM3gBvUR
Name N-(4-amino-6-methylaminopyrimidin-5-yl)-N-[(2E,6E)-3,7-dimethyl-9-[(1R,6S)-1,2,6-trimethyl-1-cyclohex-2-enyl]nona-2,6-dienyl]formamide
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H41N5O
InChI InChI=1S/C26H41N5O/c1-19(13-15-26(5)21(3)11-8-12-22(26)4)9-7-10-20(2)14-16-31(18-32)23-24(27)29-17-30-25(23)28-6/h9,11,14,17-18,22H,7-8,10,12-13,15-16H2,1-6H3,(H3,27,28,29,30)/b19-9+,20-14+/t22-,26-/m0/s1
InChIKey NFOOQBRCQVDNGM-BEHXQNNVSA-N
Literature Reference Author G.R.PETTIT,Y.TANG,Q.ZHANG,G.T.BOURNE,C.A.ARM,J.E.LEET,J.C.KN IGHT,R.K.PETTIT,J.C.
Literature Reference Citation J.NAT.PROD.,76,420(2013)
Literature Reference DOI 10.1021/np300828y
Molecular Weight 439.644 g/mol
Sample ID 42299
Solvent CDCl3