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(1.alpha.,2.beta.,3.beta.,5.beta.)-(.+-.)-N-[3-[6-(dimethylamino)-9H-purin-9-yl]-2-hydroxy-5-[[(4-methoxyphenyl)diphenylmethoxy]methyl]cyclopentyl]acetamide
SpectraBase Compound ID 8ZcgYLcJkUa
InChI InChI=1S/C35H38N6O4/c1-23(42)39-30-24(19-29(32(30)43)41-22-38-31-33(40(2)3)36-21-37-34(31)41)20-45-35(25-11-7-5-8-12-25,26-13-9-6-10-14-26)27-15-17-28(44-4)18-16-27/h5-18,21-22,24,29-30,32,43H,19-20H2,1-4H3,(H,39,42)/t24-,29-,30-,32-/m0/s1
InChIKey RADYOUNPADKNKN-OPCGVKDQSA-N
Mol Weight 606.7 g/mol
Molecular Formula C35H38N6O4
Exact Mass 606.295454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gn1nICkYnHh
Name (1.alpha.,2.beta.,3.beta.,5.beta.)-(.+-.)-N-[3-[6-(dimethylamino)-9H-purin-9-yl]-2-hydroxy-5-[[(4-methoxyphenyl)diphenylmethoxy]methyl]cyclopentyl]acetamide
CAS Registry Number 61865-61-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H38N6O4
InChI InChI=1S/C35H38N6O4/c1-23(42)39-30-24(19-29(32(30)43)41-22-38-31-33(40(2)3)36-21-37-34(31)41)20-45-35(25-11-7-5-8-12-25,26-13-9-6-10-14-26)27-15-17-28(44-4)18-16-27/h5-18,21-22,24,29-30,32,43H,19-20H2,1-4H3,(H,39,42)/t24-,29-,30-,32-/m0/s1
InChIKey RADYOUNPADKNKN-OPCGVKDQSA-N
Molecular Weight 606.727 g/mol
SMILES N([C@]1([C@@](C[C@@]([C@@]1(O)[H])([n]1c2c(c(N(C)C)ncn2)nc1)[H])(COC(c1ccc(cc1)OC)(c1ccccc1)c1ccccc1)[H])[H])C(=O)C
SPLASH splash10-01q9-0905000000-8bfaad095a0518a693fc
Source of Spectrum J-43-2318-0
Synonyms N-((1S,2R,3S,5R)-3-[6-(dimethylamino)-9H-purin-9-yl]-2-hydroxy-5-{[(4-methoxyphenyl)(diphenyl)methoxy]methyl}cyclopentyl)acetamide
Wiley ID 1410614