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(1S,2R,4R)-4-(2,6-DIAMINO-9H-PURIN-9-YL)-2-[(TRIPHENYLMETHOXY)-METHYL]-CYCLOPENT-1-YL-TRIETHYLAMMONIUM-SULFATE
SpectraBase Compound ID 59QtDuw9D89
InChI InChI=1S/C30H30N6O5S.C6H15N/c31-27-26-28(35-29(32)34-27)36(19-33-26)24-16-20(25(17-24)41-42(37,38)39)18-40-30(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-4-7(5-2)6-3/h1-15,19-20,24-25H,16-18H2,(H,37,38,39)(H4,31,32,34,35);4-6H2,1-3H3/t20-,24-,25+;/m0./s1
InChIKey GQTCCLZJCVMVTA-LTMXTJMQSA-N
Mol Weight 687.86 g/mol
Molecular Formula C36H45N7O5S
Exact Mass 687.320289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ePWXBr8YoU
Name (1S,2R,4R)-4-(2,6-DIAMINO-9H-PURIN-9-YL)-2-[(TRIPHENYLMETHOXY)-METHYL]-CYCLOPENT-1-YL-TRIETHYLAMMONIUM-SULFATE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H45N7O5S
InChI InChI=1S/C30H30N6O5S.C6H15N/c31-27-26-28(35-29(32)34-27)36(19-33-26)24-16-20(25(17-24)41-42(37,38)39)18-40-30(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-4-7(5-2)6-3/h1-15,19-20,24-25H,16-18H2,(H,37,38,39)(H4,31,32,34,35);4-6H2,1-3H3/t20-,24-,25+;/m0./s1
InChIKey GQTCCLZJCVMVTA-LTMXTJMQSA-N
Literature Reference Author H.LANG,H.E.MOSER
Literature Reference Citation HELV.CHIM.ACTA,77,1527(1994)
Literature Reference DOI 10.1002/hlca.19940770608
Molecular Weight 687.857 g/mol
Solvent CD3OD
Source File Reference UWVP4565