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Benzamide, N-[9-[3-O-benzoyl-5-O-[(4-methoxyphenyl)diphenylmethyl]-.beta.-D-xylo furanosyl]-9H-purin-6-yl]-
SpectraBase Compound ID 6XJl2I0mekm
InChI InChI=1S/C44H37N5O7/c1-53-34-24-22-33(23-25-34)44(31-18-10-4-11-19-31,32-20-12-5-13-21-32)54-26-35-38(56-43(52)30-16-8-3-9-17-30)37(50)42(55-35)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-6-2-7-15-29/h2-25,27-28,35,37-38,42,50H,26H2,1H3,(H,45,46,48,51)/t35-,37-,38+,42-/m1/s1
InChIKey DOQIHMWWQPTERQ-UZELHSFTSA-N
Mol Weight 747.8 g/mol
Molecular Formula C44H37N5O7
Exact Mass 747.269299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8BJJU8l7Fa
Name Benzamide, N-[9-[3-O-benzoyl-5-O-[(4-methoxyphenyl)diphenylmethyl]-.beta.-D-xylo furanosyl]-9H-purin-6-yl]-
CAS Registry Number 81352-48-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H37N5O7
InChI InChI=1S/C44H37N5O7/c1-53-34-24-22-33(23-25-34)44(31-18-10-4-11-19-31,32-20-12-5-13-21-32)54-26-35-38(56-43(52)30-16-8-3-9-17-30)37(50)42(55-35)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-6-2-7-15-29/h2-25,27-28,35,37-38,42,50H,26H2,1H3,(H,45,46,48,51)/t35-,37-,38+,42-/m1/s1
InChIKey DOQIHMWWQPTERQ-UZELHSFTSA-N
Molecular Weight 747.808 g/mol
SMILES O[C@]1([C@]([n]2c3c(c(ncn3)NC(=O)c3ccccc3)nc2)(O[C@@]([C@@]1(OC(=O)c1ccccc1)[H])(COC(c1ccc(cc1)OC)(c1ccccc1)c1ccccc1)[H])[H])[H]
SPLASH splash10-006t-0855000900-77340b8e90338963c8ef
Source of Spectrum Y-19-601-0
Synonyms (2R,3R,4R,5R)-5-(6-benzamido-9H-purin-9-yl)-4-hydroxy-2-{[(4-methoxyphenyl)diphenylmethoxy]methyl}oxolan-3-yl benzoate 6,3'-N-O-dibenzoyl-5'-O-monomethyoxytrityl-9.beta.-D-xylofurannosyladenine benzoic acid[(2R,3R,4R,5R)-5-(6-benzamido-9-purinyl)-4-hydroxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-oxolanyl]ester benzoic acid[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-hydroxy-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-3-yl]ester [(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-4-oxidanyl-oxolan-3-yl]benzoate [(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-hydroxy-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-3-yl]benzoate [(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-hydroxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl]benzoate benzoic acid [(2R,3R,4R,5R)-5-(6-benzamido-9-purinyl)-4-hydroxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-oxolanyl] ester [(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-hydroxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] benzoate [(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-hydroxy-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-3-yl] benzoate [(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-4-oxidanyl-oxolan-3-yl] benzoate
Wiley ID 1416268