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(2R,3R,4S,5R,6R)-2-(6-((E)-4-acetoxy-3-methylbut-2-enylamino)-9H-purin-9-yl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
SpectraBase Compound ID USNZM0KeiN
InChI InChI=1S/C26H33N5O11/c1-13(9-37-14(2)32)7-8-27-24-20-25(29-11-28-24)31(12-30-20)26-23(41-18(6)36)22(40-17(5)35)21(39-16(4)34)19(42-26)10-38-15(3)33/h7,11-12,19,21-23,26H,8-10H2,1-6H3,(H,27,28,29)/b13-7+/t19-,21-,22+,23-,26-/m1/s1
InChIKey UFHWIDZAKFOSEB-ILZSXOCJSA-N
Mol Weight 591.6 g/mol
Molecular Formula C26H33N5O11
Exact Mass 591.217657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qAjUrhcnI
Name (2R,3R,4S,5R,6R)-2-(6-((E)-4-acetoxy-3-methylbut-2-enylamino)-9H-purin-9-yl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
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Formula C26H33N5O11
InChI InChI=1S/C26H33N5O11/c1-13(9-37-14(2)32)7-8-27-24-20-25(29-11-28-24)31(12-30-20)26-23(41-18(6)36)22(40-17(5)35)21(39-16(4)34)19(42-26)10-38-15(3)33/h7,11-12,19,21-23,26H,8-10H2,1-6H3,(H,27,28,29)/b13-7+/t19-,21-,22+,23-,26-/m1/s1
InChIKey UFHWIDZAKFOSEB-ILZSXOCJSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 591.574 g/mol
SMILES N(c1ncnc2c1nc[n]2[C@@]1(O[C@](COC(C)=O)([C@@](OC(C)=O)([C@](OC(C)=O)([C@]1(OC(C)=O)[H])[H])[H])[H])[H])C\C=C\(COC(C)=O)C
SPLASH splash10-0udl-9280010000-8f5c0ad2328571656b75
Source of Spectrum PA-7-63-63_15
Synonyms (2R,3R,4S,5R,6R)-2-(6-(((E)-4-acetoxy-3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Wiley ID 1800149