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(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(6-(3-methylbut-2-enylamino)-9H-purin-9-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(6-(3-methylbut-2-enylamino)-9H-purin-9-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
SpectraBase Compound ID 2QTprXVpf16
InChI InChI=1S/C24H31N5O9/c1-12(2)7-8-25-22-18-23(27-10-26-22)29(11-28-18)24-21(37-16(6)33)20(36-15(5)32)19(35-14(4)31)17(38-24)9-34-13(3)30/h7,10-11,17,19-21,24H,8-9H2,1-6H3,(H,25,26,27)/t17-,19-,20+,21-,24-/m1/s1
InChIKey SNNXNLQWDNHETI-UKMCQSRUSA-N
Mol Weight 533.54 g/mol
Molecular Formula C24H31N5O9
Exact Mass 533.212178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIG3KiyCpZO
Name (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(6-(3-methylbut-2-enylamino)-9H-purin-9-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 533.212177589 u
Formula C24H31N5O9
InChI InChI=1S/C24H31N5O9/c1-12(2)7-8-25-22-18-23(27-10-26-22)29(11-28-18)24-21(37-16(6)33)20(36-15(5)32)19(35-14(4)31)17(38-24)9-34-13(3)30/h7,10-11,17,19-21,24H,8-9H2,1-6H3,(H,25,26,27)/t17-,19-,20+,21-,24-/m1/s1
InChIKey SNNXNLQWDNHETI-UKMCQSRUSA-N
Molecular Weight 533.538 g/mol
SMILES C1(=NC=NC2=C1N=CN2[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])NCC=C(C)C