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N(4)-Benzoyl-9-(4',6'-di-O-benzoyl-2',3'-dideoxy-.beta.-D-glucopyranosyl)adenine
SpectraBase Compound ID BaUeMdBLMNh
InChI InChI=1S/C32H27N5O6/c38-30(21-10-4-1-5-11-21)36-28-27-29(34-19-33-28)37(20-35-27)26-17-16-24(43-32(40)23-14-8-3-9-15-23)25(42-26)18-41-31(39)22-12-6-2-7-13-22/h1-15,19-20,24-26H,16-18H2,(H,33,34,36,38)/t24-,25+,26+/m0/s1
InChIKey USNXYYHVEQYGGB-JIMJEQGWSA-N
Mol Weight 577.6 g/mol
Molecular Formula C32H27N5O6
Exact Mass 577.196134 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BloJmo0jRRZ
Name N(4)-Benzoyl-9-(4',6'-di-O-benzoyl-2',3'-dideoxy-.beta.-D-glucopyranosyl)adenine
Alternate Name(s) 6-(6-benzamido-9H-purin-9-yl)-2-[(benzoyloxy)methyl]oxan-3-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H27N5O6
InChI InChI=1S/C32H27N5O6/c38-30(21-10-4-1-5-11-21)36-28-27-29(34-19-33-28)37(20-35-27)26-17-16-24(43-32(40)23-14-8-3-9-15-23)25(42-26)18-41-31(39)22-12-6-2-7-13-22/h1-15,19-20,24-26H,16-18H2,(H,33,34,36,38)/t24-,25+,26+/m0/s1
InChIKey USNXYYHVEQYGGB-JIMJEQGWSA-N
Molecular Weight 577.597 g/mol
SMILES N(c1c2c([n](cn2)[C@@]2(O[C@](COC(=O)c3ccccc3)([C@@](OC(=O)c3ccccc3)(CC2)[H])[H])[H])ncn1)C(=O)c1ccccc1
SPLASH splash10-0a6r-9510000000-50d48d8c437a7de30901
Source of Spectrum H-75-1453-14
Wiley ID 1408297