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6-BETA-(6-CHLOROPURIN-9-YL)-3,5-CYCLOCHOLESTANE
SpectraBase Compound ID IJjVTK6UIsn
InChI InChI=1S/C32H47ClN4/c1-19(2)7-6-8-20(3)23-9-10-24-22-15-26(37-18-36-27-28(33)34-17-35-29(27)37)32-16-21(32)11-14-31(32,5)25(22)12-13-30(23,24)4/h17-26H,6-16H2,1-5H3/t20-,21?,22+,23-,24+,25+,26-,30?,31?,32?/m1/s1
InChIKey XVSXZLIFBIBMFM-BKSKRERQSA-N
Mol Weight 523.2 g/mol
Molecular Formula C32H47ClN4
Exact Mass 522.348925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CT3Yl2OiaSW
Name 6-BETA-(6-CHLOROPURIN-9-YL)-3,5-CYCLOCHOLESTANE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H47ClN4
InChI InChI=1S/C32H47ClN4/c1-19(2)7-6-8-20(3)23-9-10-24-22-15-26(37-18-36-27-28(33)34-17-35-29(27)37)32-16-21(32)11-14-31(32,5)25(22)12-13-30(23,24)4/h17-26H,6-16H2,1-5H3/t20-,21?,22+,23-,24+,25+,26-,30?,31?,32?/m1/s1
InChIKey XVSXZLIFBIBMFM-BKSKRERQSA-N
Literature Reference Author R.A.CADENAS,M.E.GELPI,J.MOSETTIG
Literature Reference Citation J.HETCYCL.CHEM.,42,1(2005)
Literature Reference DOI 10.1002/jhet.5570420101
Molecular Weight 523.205 g/mol
Sample ID 42278
Solvent DMSO-D6