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6-Chloro-7-deaza-9-(4',6'-di-O-benzoyl-2',3'-dideoxy-.beta.-D-glucopyranosyl)purine
SpectraBase Compound ID FD3VlZUe5TK
InChI InChI=1S/C26H22ClN3O5/c27-23-19-13-14-30(24(19)29-16-28-23)22-12-11-20(35-26(32)18-9-5-2-6-10-18)21(34-22)15-33-25(31)17-7-3-1-4-8-17/h1-10,13-14,16,20-22H,11-12,15H2/t20-,21+,22+/m0/s1
InChIKey CQWVBOBPNBXHPV-BHDDXSALSA-N
Mol Weight 491.93 g/mol
Molecular Formula C26H22ClN3O5
Exact Mass 491.124799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I88MOr37Ihm
Name 6-Chloro-7-deaza-9-(4',6'-di-O-benzoyl-2',3'-dideoxy-.beta.-D-glucopyranosyl)purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22ClN3O5
InChI InChI=1S/C26H22ClN3O5/c27-23-19-13-14-30(24(19)29-16-28-23)22-12-11-20(35-26(32)18-9-5-2-6-10-18)21(34-22)15-33-25(31)17-7-3-1-4-8-17/h1-10,13-14,16,20-22H,11-12,15H2/t20-,21+,22+/m0/s1
InChIKey CQWVBOBPNBXHPV-BHDDXSALSA-N
Molecular Weight 491.931 g/mol
SMILES c12[n](ccc2c(Cl)ncn1)[C@@]1(O[C@](COC(=O)c2ccccc2)([C@@](OC(=O)c2ccccc2)(CC1)[H])[H])[H]
SPLASH splash10-0a4i-4902000000-dc3db4f2949e3a4761dd
Source of Spectrum H-75-1460-33
Synonyms (2R,3S,6R)-2-[(benzoyloxy)methyl]-6-{4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}oxan-3-yl benzoate
Wiley ID 1397395