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N4-(N6-Benzoyl-6-aminopyridin-2-yl)-5'-dimethoxytrityl-2'-deoxycytidine
SpectraBase Compound ID JRIDcq1rYOd
InChI InChI=1S/C42H39N5O7/c1-51-32-20-16-30(17-21-32)42(29-12-7-4-8-13-29,31-18-22-33(52-2)23-19-31)53-27-35-34(48)26-39(54-35)47-25-24-38(46-41(47)50)44-36-14-9-15-37(43-36)45-40(49)28-10-5-3-6-11-28/h3-25,34-35,39,48H,26-27H2,1-2H3,(H2,43,44,45,46,49,50)/t34-,35+,39+/m0/s1
InChIKey SHIBFWZBMNCWFZ-ABNQXDDGSA-N
Mol Weight 725.8 g/mol
Molecular Formula C42H39N5O7
Exact Mass 725.284949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BB8hxfMSYUj
Name N4-(N6-Benzoyl-6-aminopyridin-2-yl)-5'-dimethoxytrityl-2'-deoxycytidine
Alternate Name(s) N-[6-({1-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-hydroxyoxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}amino)pyridin-2-yl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H39N5O7
InChI InChI=1S/C42H39N5O7/c1-51-32-20-16-30(17-21-32)42(29-12-7-4-8-13-29,31-18-22-33(52-2)23-19-31)53-27-35-34(48)26-39(54-35)47-25-24-38(46-41(47)50)44-36-14-9-15-37(43-36)45-40(49)28-10-5-3-6-11-28/h3-25,34-35,39,48H,26-27H2,1-2H3,(H2,43,44,45,46,49,50)/t34-,35+,39+/m0/s1
InChIKey SHIBFWZBMNCWFZ-ABNQXDDGSA-N
Molecular Weight 725.802 g/mol
SMILES N(C1=NC(N([C@]2(C[C@@]([C@](O2)(COC(c2ccc(cc2)OC)(c2ccc(cc2)OC)c2ccccc2)[H])(O)[H])[H])C=C1)=O)c1nc(NC(=O)c2ccccc2)ccc1
SPLASH splash10-0pb9-0009000000-b9b13b61d72adbe0f207
Source of Spectrum QA-46-757-7
Wiley ID 863227