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(5'R,6'R)-N(6)-Benzoyl-9-(2-deoxy-3',5'-ethano-5'-6'-methano-alpha-D-ribofuranosyl)adenine
SpectraBase Compound ID GFG5jDfEzmn
InChI InChI=1S/C20H19N5O4/c26-17(11-4-2-1-3-5-11)24-15-14-16(22-9-21-15)25(10-23-14)13-8-19(27)6-12-7-20(12,28)18(19)29-13/h1-5,9-10,12-13,18,27-28H,6-8H2,(H,21,22,24,26)/t12-,13+,18+,19+,20-/m1/s1
InChIKey BECBDJVJUGTXMJ-JZDTXSGRSA-N
Mol Weight 393.4 g/mol
Molecular Formula C20H19N5O4
Exact Mass 393.143704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUCJVFYtw6m
Name (5'R,6'R)-N(6)-Benzoyl-9-(2-deoxy-3',5'-ethano-5'-6'-methano-alpha-D-ribofuranosyl)adenine
Alternate Name(s) (5'R,6'R)-N(6)-Benzoyl-9-(2'-deoxy-3',5''5'-propane[1,2,2]triyl-alpha-D-ribofuranosyl)adenine N-(9-((2S,3aS,4aS,5aR,5bS)-3a,5a-dihydroxyoctahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-2-yl)-9H-purin-6-yl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N5O4
InChI InChI=1S/C20H19N5O4/c26-17(11-4-2-1-3-5-11)24-15-14-16(22-9-21-15)25(10-23-14)13-8-19(27)6-12-7-20(12,28)18(19)29-13/h1-5,9-10,12-13,18,27-28H,6-8H2,(H,21,22,24,26)/t12-,13+,18+,19+,20-/m1/s1
InChIKey BECBDJVJUGTXMJ-JZDTXSGRSA-N
Literature Reference DOI 10.1002/hlca.19970800812
Molecular Weight 393.403 g/mol
SMILES O[C@]12[C@]3(O[C@@](C[C@]3(C[C@@]2(C1)[H])O)([n]1c2c(nc1)c(ncn2)NC(c1ccccc1)=O)[H])[H]
SPLASH splash10-0bti-0940000000-625b4e99fe79981d3aed
Source of Spectrum H-80-2437-(+)_19
Wiley ID 1785307