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(2-R,3-R,4-S,5-R,6-S)-3,4,5-TRIHYDROXY-2-HYDROXYMETHYL-7,9-DIAZA-1-OXA-SPIRO-[4,5]-DECANE-8,10-DIONE
SpectraBase Compound ID Cn1APbBYzYF
InChI InChI=1S/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)/t2-,3-,4+,5-,8+/m1/s1
InChIKey QRXBDPYWCAAAAI-WWHASAIZSA-N
Mol Weight 248.19 g/mol
Molecular Formula C8H12N2O7
Exact Mass 248.064451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZtBtHl5bDo
Name (2-R,3-R,4-S,5-R,6-S)-3,4,5-TRIHYDROXY-2-HYDROXYMETHYL-7,9-DIAZA-1-OXA-SPIRO-[4,5]-DECANE-8,10-DIONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12N2O7
InChI InChI=1S/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)/t2-,3-,4+,5-,8+/m1/s1
InChIKey QRXBDPYWCAAAAI-WWHASAIZSA-N
Literature Reference Author L.SOMSAK,L.KOVACS,M.TOTH,E.OSZ,L.SZILAGYI,Z.GYOERGYDEAK,Z.DI NYA,T.DOCSA,B.TOTH,P
Literature Reference Citation J.MED.CHEM.,44,2843(2001)
Literature Reference DOI 10.1021/jm010892t
Molecular Weight 248.192 g/mol
Sample ID 45041
Solvent D2O