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(3ar,5ar,8as,8br)-2,2,7,7-Tetramethyl-N-(2-oxo-2-((4-(N-(pyridin-2-yl)sulfamoyl)phenyl)amino)ethyl)tetrahydro-3ah-bis([1,3]dioxolo)[4,5-B:4',5'-D]pyran-5-carboxamide

View entire compound with spectra: 2 NMR

(3ar,5ar,8as,8br)-2,2,7,7-Tetramethyl-N-(2-oxo-2-((4-(N-(pyridin-2-yl)sulfamoyl)phenyl)amino)ethyl)tetrahydro-3ah-bis([1,3]dioxolo)[4,5-B:4',5'-D]pyran-5-carboxamide
SpectraBase Compound ID 2QffTtgtofX
InChI InChI=1S/C25H30N4O9S/c1-24(2)35-18-19(36-24)21-23(38-25(3,4)37-21)34-20(18)22(31)27-13-17(30)28-14-8-10-15(11-9-14)39(32,33)29-16-7-5-6-12-26-16/h5-12,18-21,23H,13H2,1-4H3,(H,26,29)(H,27,31)(H,28,30)
InChIKey NEZKPXFSPBYPFW-UHFFFAOYSA-N
Mol Weight 562.59 g/mol
Molecular Formula C25H30N4O9S
Exact Mass 562.17335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlNlEKCzDes
Name (3ar,5ar,8as,8br)-2,2,7,7-Tetramethyl-N-(2-oxo-2-((4-(N-(pyridin-2-yl)sulfamoyl)phenyl)amino)ethyl)tetrahydro-3ah-bis([1,3]dioxolo)[4,5-B:4',5'-D]pyran-5-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 562.173349727 u
Formula C25H30N4O9S
InChI InChI=1S/C25H30N4O9S/c1-24(2)35-18-19(36-24)21-23(38-25(3,4)37-21)34-20(18)22(31)27-13-17(30)28-14-8-10-15(11-9-14)39(32,33)29-16-7-5-6-12-26-16/h5-12,18-21,23H,13H2,1-4H3,(H,26,29)(H,27,31)(H,28,30)
InChIKey NEZKPXFSPBYPFW-UHFFFAOYSA-N
Molecular Weight 562.594 g/mol
SMILES N(S(C=1C=CC(NC(CNC(C2C3C(OC(O3)(C)C)C3C(O2)OC(C)(C)O3)=O)=O)=CC1)(=O)=O)C=1N=CC=CC1