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(2R,3R,4S,5R,6R)-2-(6-((E)-4-acetoxy-3-methylbut-2-enylamino)-7H-purin-7-yl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

View entire compound with spectra: 1 MS (GC)

(2R,3R,4S,5R,6R)-2-(6-((E)-4-acetoxy-3-methylbut-2-enylamino)-7H-purin-7-yl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
SpectraBase Compound ID 7fEsJVwQ9uG
InChI InChI=1S/C26H33N5O11/c1-13(9-37-14(2)32)7-8-27-24-20-25(29-11-28-24)30-12-31(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 PMVWJWXANRCZOD-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 JPNIpDGF8uN
Name (2R,3R,4S,5R,6R)-2-(6-((E)-4-acetoxy-3-methylbut-2-enylamino)-7H-purin-7-yl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Alternate Name(s) (2R,3R,4S,5R,6R)-2-(6-(((E)-4-acetoxy-3-methylbut-2-en-1-yl)amino)-7H-purin-7-yl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33N5O11
InChI InChI=1S/C26H33N5O11/c1-13(9-37-14(2)32)7-8-27-24-20-25(29-11-28-24)30-12-31(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 PMVWJWXANRCZOD-ILZSXOCJSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 591.574 g/mol
SMILES N(C\C=C\(COC(C)=O)C)c1c2c(ncn1)nc[n]2[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H]
SPLASH splash10-0f6x-9350010000-0874d7a3ccf474cb4d1a
Source of Spectrum PA-7-63-63_14
Wiley ID 1800148