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(3-R,4-S,5-R,6-S)-3,4,5-TRIACETOXY-7,9-DIAZA-1-OXA-SPIRO-[4,5]-DECANE-10-ONE-8-THIONE
SpectraBase Compound ID 5GTULecyrMX
InChI InChI=1S/C13H16N2O8S/c1-5(16)21-8-4-20-13(11(19)14-12(24)15-13)10(23-7(3)18)9(8)22-6(2)17/h8-10H,4H2,1-3H3,(H2,14,15,19,24)/t8-,9+,10-,13+/m1/s1
InChIKey RSHRYKNARIJJMT-COMAGPEQSA-N
Mol Weight 360.34 g/mol
Molecular Formula C13H16N2O8S
Exact Mass 360.062737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RjY7ffK04g
Name (3-R,4-S,5-R,6-S)-3,4,5-TRIACETOXY-7,9-DIAZA-1-OXA-SPIRO-[4,5]-DECANE-10-ONE-8-THIONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16N2O8S
InChI InChI=1S/C13H16N2O8S/c1-5(16)21-8-4-20-13(11(19)14-12(24)15-13)10(23-7(3)18)9(8)22-6(2)17/h8-10H,4H2,1-3H3,(H2,14,15,19,24)/t8-,9+,10-,13+/m1/s1
InChIKey RSHRYKNARIJJMT-COMAGPEQSA-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 360.339 g/mol
Sample ID 45047
Solvent DMSO-D6