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(2S,4S)-3-Benzyloxycarbonyl-2-tert-butyl-4-[4-[3-(9-adeninyl)butyl]oxazolidin-5-one
SpectraBase Compound ID KyzUboeVAtj
InChI InChI=1S/C24H30N6O4/c1-24(2,3)22-30(23(32)33-13-16-9-5-4-6-10-16)17(21(31)34-22)11-7-8-12-29-15-28-18-19(25)26-14-27-20(18)29/h4-6,9-10,14-15,17,22H,7-8,11-13H2,1-3H3,(H2,25,26,27)/t17-,22-/m0/s1
InChIKey DRCASBQJYLNPLU-JTSKRJEESA-N
Mol Weight 466.54 g/mol
Molecular Formula C24H30N6O4
Exact Mass 466.232853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EpRQFpBONN
Name (2S,4S)-3-Benzyloxycarbonyl-2-tert-butyl-4-[4-[3-(9-adeninyl)butyl]oxazolidin-5-one
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Formula C24H30N6O4
InChI InChI=1S/C24H30N6O4/c1-24(2,3)22-30(23(32)33-13-16-9-5-4-6-10-16)17(21(31)34-22)11-7-8-12-29-15-28-18-19(25)26-14-27-20(18)29/h4-6,9-10,14-15,17,22H,7-8,11-13H2,1-3H3,(H2,25,26,27)/t17-,22-/m0/s1
InChIKey DRCASBQJYLNPLU-JTSKRJEESA-N
Molecular Weight 466.542 g/mol
SMILES Nc1c2c([n](CCCC[C@]3(C(=O)O[C@](N3C(OCc3ccccc3)=O)(C(C)(C)C)[H])[H])cn2)ncn1
SPLASH splash10-066r-0031900000-c396d94e1c1cbd3c9b51
Source of Spectrum KC-57-6550-22
Synonyms (2S,4S)-4-[4-(6-aminopurin-9-yl)butyl]-2-tert-butyl-5-oxo-3-oxazolidinecarboxylic acid (phenylmethyl) ester benzyl (2S,4S)-4-[4-(6-aminopurin-9-yl)butyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylate benzyl (2S,4S)-4-[4-(6-aminopurin-9-yl)butyl]-2-tert-butyl-5-oxo-oxazolidine-3-carboxylate (phenylmethyl) (2S,4S)-4-[4-(6-aminopurin-9-yl)butyl]-2-tert-butyl-5-oxidanylidene-1,3-oxazolidine-3-carboxylate
Wiley ID 1625246