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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: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9n4yaT4PrD
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
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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 [nH]1c(nc(-c2[nH]c3ccccc3c2)n1)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]
SPLASH splash10-066r-1910000000-9bf1a7e177dfe7bbce9d
Source of Spectrum El Sayed H. El Ashry, et al. European Journal of Medicinal Chemistry, V.66, 2013, P.106-113
Wiley ID 1817166