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D-glycero-.beta.-D-allo-Decofuranuronic acid, 1-(6-amino-9H-purin-9-yl)-5,6,7,8,9-pentadeoxy-6,9-bis[[(1,1-dimethyl ethoxy)carbonyl]amino]-2,3-O-(1-methylethylidene)-, methyl ester
SpectraBase Compound ID C5WxlDrjrC5
InChI InChI=1S/C29H45N7O9/c1-27(2,3)44-25(38)33-14(10-11-15(24(37)40-9)34-26(39)45-28(4,5)6)12-16-18-19(43-29(7,8)42-18)20(41-16)23-35-17-21(30)31-13-32-22(17)36-23/h13-16,18-20H,10-12H2,1-9H3,(H,33,38)(H,34,39)(H3,30,31,32,35,36)
InChIKey WJYZQQBCZUWDGV-UHFFFAOYSA-N
Mol Weight 635.7 g/mol
Molecular Formula C29H45N7O9
Exact Mass 635.327876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LP0YsXTHU8u
Name D-glycero-.beta.-D-allo-Decofuranuronic acid, 1-(6-amino-9H-purin-9-yl)-5,6,7,8,9-pentadeoxy-6,9-bis[[(1,1-dimethyl ethoxy)carbonyl]amino]-2,3-O-(1-methylethylidene)-, methyl ester
CAS Registry Number 87884-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H45N7O9
InChI InChI=1S/C29H45N7O9/c1-27(2,3)44-25(38)33-14(10-11-15(24(37)40-9)34-26(39)45-28(4,5)6)12-16-18-19(43-29(7,8)42-18)20(41-16)23-35-17-21(30)31-13-32-22(17)36-23/h13-16,18-20H,10-12H2,1-9H3,(H,33,38)(H,34,39)(H3,30,31,32,35,36)
InChIKey WJYZQQBCZUWDGV-UHFFFAOYSA-N
Molecular Weight 635.719 g/mol
SMILES N(C(OC(C)(C)C)=O)C(CC1C2C(C(c3nc4c(ncnc4[nH]3)N)O1)OC(O2)(C)C)CCC(NC(OC(C)(C)C)=O)C(=O)OC
SPLASH splash10-000i-0910026000-6a1f7d6d7feda5ba6877
Source of Spectrum C-105-7640-0
Synonyms 9-(methyl 6,9(S)-bis(((tert-butyloxy)carbonyl)amino)-5,6,7,8,9-pentadeoxy-2,3-O-isopropylidene-.beta.-D-ribo-decafuranosyluronate)adenine Furo[3,4-d]-1,3-dioxole, D-glycero-.beta.-D-allo-decofuranuronic acid deriv. Methyl 10-(6-amino-9H-purin-8-yl)-7,10-anhydro-2,5-bis[(tert-butoxycarbonyl)amino]-2,3,4,5,6-pentadeoxy-8,9-O-(1-methylethylidene)deconate
Wiley ID 1412329