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(1S,2S,3R,4R)-2-(6-Amino-purin-9-yl)-3,4-bis-benzyloxymethyl-cyclobutanol
SpectraBase Compound ID J6ZjwdtKI4t
InChI InChI=1S/C25H27N5O3/c26-24-21-25(28-15-27-24)30(16-29-21)22-19(13-32-11-17-7-3-1-4-8-17)20(23(22)31)14-33-12-18-9-5-2-6-10-18/h1-10,15-16,19-20,22-23,31H,11-14H2,(H2,26,27,28)/t19-,20+,22+,23+/m1/s1
InChIKey MBZNXDIUZGQKRJ-VAPSRWTKSA-N
Mol Weight 445.52 g/mol
Molecular Formula C25H27N5O3
Exact Mass 445.21139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALHYdq2gGeA
Name (1S,2S,3R,4R)-2-(6-Amino-purin-9-yl)-3,4-bis-benzyloxymethyl-cyclobutanol
Alternate Name(s) (1S,2S,3R,4R)-2-(6-amino-9H-purin-9-yl)-3,4-bis[(benzyloxy)methyl]cyclobutanol 9-[trans-3',trans-4'-Bis(benzyloxymethyl)-trans-2'-hydroxycyclobut-1'-yl]adenine
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Formula C25H27N5O3
InChI InChI=1S/C25H27N5O3/c26-24-21-25(28-15-27-24)30(16-29-21)22-19(13-32-11-17-7-3-1-4-8-17)20(23(22)31)14-33-12-18-9-5-2-6-10-18/h1-10,15-16,19-20,22-23,31H,11-14H2,(H2,26,27,28)/t19-,20+,22+,23+/m1/s1
InChIKey MBZNXDIUZGQKRJ-VAPSRWTKSA-N
Molecular Weight 445.523 g/mol
SMILES Nc1c2c([n]([C@@]3([C@]([C@]([C@]3(COCc3ccccc3)[H])(COCc3ccccc3)[H])(O)[H])[H])cn2)ncn1
SPLASH splash10-0006-9510000000-98af7f81c68bf97e03da
Source of Spectrum F-50-13152-10
Wiley ID 790151