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(2S,3R,4S,5R,6R)-2-((3-(1H-indol-2-yl)-1H-1,2,4-triazol-5-yl)thio)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(2S,3R,4S,5R,6R)-2-((3-(1H-indol-2-yl)-1H-1,2,4-triazol-5-yl)thio)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
SpectraBase Compound ID Eod7zdKpSmc
InChI InChI=1S/C24H26N4O9S/c1-11(29)33-10-18-19(34-12(2)30)20(35-13(3)31)21(36-14(4)32)23(37-18)38-24-26-22(27-28-24)17-9-15-7-5-6-8-16(15)25-17/h5-9,18-21,23,25H,10H2,1-4H3,(H,26,27,28)/t18-,19-,20+,21-,23+/m1/s1
InChIKey XONICDXDSVYOCO-VZWAGXQNSA-N
Mol Weight 546.55 g/mol
Molecular Formula C24H26N4O9S
Exact Mass 546.14205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3n28Wa3ITGv
Name (2S,3R,4S,5R,6R)-2-((3-(1H-Indol-2-yl)-1H-1,2,4-triazol-5-yl)thio)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.142049598 u
Formula C24H26N4O9S
InChI InChI=1S/C24H26N4O9S/c1-11(29)33-10-18-19(34-12(2)30)20(35-13(3)31)21(36-14(4)32)23(37-18)38-24-26-22(27-28-24)17-9-15-7-5-6-8-16(15)25-17/h5-9,18-21,23,25H,10H2,1-4H3,(H,26,27,28)/t18-,19-,20+,21-,23+/m1/s1
InChIKey XONICDXDSVYOCO-VZWAGXQNSA-N
Molecular Weight 546.551 g/mol
SMILES C=1(NN=C(N1)C=1NC=2C=CC=CC2C1)S[C@]1([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H]