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(1S,3S,5R,6R,8R)-3-ACETOXYMETHYL-5-HYDROXY-6-HYDROXYMETHYL-8-(THYMIN-1-YL)-2,7-DIOXABICYCLO-[3.3.0]-OCTANE
SpectraBase Compound ID 1LHRewNBxls
InChI InChI=1S/C15H20N2O8/c1-7-4-17(14(21)16-12(7)20)13-11-15(22,10(5-18)25-13)3-9(24-11)6-23-8(2)19/h4,9-11,13,18,22H,3,5-6H2,1-2H3,(H,16,20,21)/t9-,10+,11+,13+,15+/m1/s1
InChIKey XKAUFCFZSSFBGS-NEQUNRTCSA-N
Mol Weight 356.33 g/mol
Molecular Formula C15H20N2O8
Exact Mass 356.121966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqaiUZ3yBe1
Name (1S,3S,5R,6R,8R)-3-ACETOXYMETHYL-5-HYDROXY-6-HYDROXYMETHYL-8-(THYMIN-1-YL)-2,7-DIOXABICYCLO-[3.3.0]-OCTANE
Compound Number 12S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20N2O8
InChI InChI=1S/C15H20N2O8/c1-7-4-17(14(21)16-12(7)20)13-11-15(22,10(5-18)25-13)3-9(24-11)6-23-8(2)19/h4,9-11,13,18,22H,3,5-6H2,1-2H3,(H,16,20,21)/t9-,10+,11+,13+,15+/m1/s1
InChIKey XKAUFCFZSSFBGS-NEQUNRTCSA-N
Literature Reference Author M.RAUNKJAER,C.E.OLSEN,J.WENGEL
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2543(1999)
Molecular Weight 356.332 g/mol
Solvent DMSO-D6
Source File Reference UWGE3724