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Adenosine, 3'-deoxy-3'-[[2-(dimethylamino)-3-(4-methoxyphenyl)-1-oxopropyl]amino]-N,N-dimethyl-, 2',5'-diacetate, (S)-
SpectraBase Compound ID 4xtZVjqkkW4
InChI InChI=1S/C28H37N7O7/c1-16(36)40-13-21-22(32-27(38)20(33(3)4)12-18-8-10-19(39-7)11-9-18)24(41-17(2)37)28(42-21)35-15-31-23-25(34(5)6)29-14-30-26(23)35/h8-11,14-15,20-22,24,28H,12-13H2,1-7H3,(H,32,38)
InChIKey YPUHQDLHCNCHDE-UHFFFAOYSA-N
Mol Weight 583.6 g/mol
Molecular Formula C28H37N7O7
Exact Mass 583.275447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GApZ7uIUpX4
Name Adenosine, 3'-deoxy-3'-[[2-(dimethylamino)-3-(4-methoxyphenyl)-1-oxopropyl]amino]-N,N-dimethyl-, 2',5'-diacetate, (S)-
CAS Registry Number 55515-17-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37N7O7
InChI InChI=1S/C28H37N7O7/c1-16(36)40-13-21-22(32-27(38)20(33(3)4)12-18-8-10-19(39-7)11-9-18)24(41-17(2)37)28(42-21)35-15-31-23-25(34(5)6)29-14-30-26(23)35/h8-11,14-15,20-22,24,28H,12-13H2,1-7H3,(H,32,38)
InChIKey YPUHQDLHCNCHDE-UHFFFAOYSA-N
Molecular Weight 583.646 g/mol
SMILES N(C1C(COC(C)=O)OC(C1OC(C)=O)[n]1cnc2c1ncnc2N(C)C)C(C(Cc1ccc(cc1)OC)N(C)C)=O
SPLASH splash10-004i-0900100000-7d9824173b2d53ca04f7
Source of Spectrum AD-0-364-0
Synonyms [4-acetoxy-3-[[2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate [4-acetyloxy-3-[[2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]oxolan-2-yl]methyl acetate [4-acetyloxy-3-[[2-(dimethylamino)-3-(4-methoxyphenyl)propanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]oxolan-2-yl]methyl ethanoate Acetic acid [4-acetyloxy-3-[[2-(dimethylamino)-3-(4-methoxyphenyl)-1-oxopropyl]amino]-5-[6-(dimethylamino)-9-purinyl]-2-oxolanyl]methyl ester
Wiley ID 1408749