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[7-[(E)-5-[(1S,4aR,5S,8aR)-4a,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-2-enyl]-9-methyl-purin-9-ium-6-yl]amine

View entire compound with spectra: 2 NMR

[7-[(E)-5-[(1S,4aR,5S,8aR)-4a,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-2-enyl]-9-methyl-purin-9-ium-6-yl]amine
SpectraBase Compound ID 5EUVpjJ2s8A
InChI InChI=1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)9-10-21-19(2)11-14-25(4)20(3)8-7-13-26(21,25)5/h12,16-17,20-21H,2,7-11,13-15H2,1,3-6H3,(H2,27,28,29)/q+1/b18-12+/t20-,21-,25+,26+/m0/s1
InChIKey RMVKVPUPISOTEM-HFYKSFLZSA-N
Mol Weight 422.6 g/mol
Molecular Formula C26H40N5
Exact Mass 422.328371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3mLiCc7MROH
Name [7-[(E)-5-[(1S,4aR,5S,8aR)-4a,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-2-enyl]-9-methyl-purin-9-ium-6-yl]amine
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H40N5
InChI InChI=1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)9-10-21-19(2)11-14-25(4)20(3)8-7-13-26(21,25)5/h12,16-17,20-21H,2,7-11,13-15H2,1,3-6H3,(H2,27,28,29)/q+1/b18-12+/t20-,21-,25+,26+/m0/s1
InChIKey RMVKVPUPISOTEM-HFYKSFLZSA-N
Literature Reference Author T.IWAGAWA,M.KANEKO,H.OKAMURA,M.NAKATANI,R.W.M.VANSOEST
Literature Reference Citation J.NAT.PROD.,61,1310(1998)
Literature Reference DOI 10.1021/np980173q
Molecular Weight 422.637 g/mol
Solvent CD3OD
Source File Reference UWCS19592