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9H-Purine-2-acetic acid, 9-[2,3,5-tris-O-[(1,1-dimethylethyl)dimethylsilyl]-.beta.-D-ribofuranosyl]-, ethyl ester
SpectraBase Compound ID GGFFafXuyOF
InChI InChI=1S/C32H60N4O6Si3/c1-17-38-25(37)18-24-33-19-22-28(35-24)36(21-34-22)29-27(42-45(15,16)32(8,9)10)26(41-44(13,14)31(5,6)7)23(40-29)20-39-43(11,12)30(2,3)4/h19,21,23,26-27,29H,17-18,20H2,1-16H3/t23-,26-,27-,29-/m1/s1
InChIKey ZEBGDTUNZCVAFK-FLKHEUMLSA-N
Mol Weight 681.1 g/mol
Molecular Formula C32H60N4O6Si3
Exact Mass 680.382065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8f2sOl73SuB
Name 9H-Purine-2-acetic acid, 9-[2,3,5-tris-O-[(1,1-dimethylethyl)dimethylsilyl]-.beta.-D-ribofuranosyl]-, ethyl ester
CAS Registry Number 121358-23-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H60N4O6Si3
InChI InChI=1S/C32H60N4O6Si3/c1-17-38-25(37)18-24-33-19-22-28(35-24)36(21-34-22)29-27(42-45(15,16)32(8,9)10)26(41-44(13,14)31(5,6)7)23(40-29)20-39-43(11,12)30(2,3)4/h19,21,23,26-27,29H,17-18,20H2,1-16H3/t23-,26-,27-,29-/m1/s1
InChIKey ZEBGDTUNZCVAFK-FLKHEUMLSA-N
Molecular Weight 681.109 g/mol
SMILES [C@@]1([n]2c3nc(CC(=O)OCC)ncc3nc2)([C@@]([C@](O[Si](C(C)(C)C)(C)C)([C@](O1)(CO[Si](C(C)(C)C)(C)C)[H])[H])(O[Si](C(C)(C)C)(C)C)[H])[H]
SPLASH splash10-00di-0000009000-a6d4bf4f24ea833fc167
Source of Spectrum F-44-7004-9
Synonyms 2-Ethoxycarbonylmethyl-9(2,3,5-tri-O-(2-methylprop-2-yl)dimethylsilyloxy-.beta.-D-ribofuranosyl)purine ethyl 2-{9-[(2R,3R,4R,5R)-3,4-bis[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-yl]-9H-purin-2-yl}acetate
Wiley ID 1414327