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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate

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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID HyXRfRbsRXy
InChI InChI=1S/C24H27N3O8/c1-13-6-8-18(9-7-13)20-11-27(26-25-20)21-10-19(12-32-14(2)28)22(33-15(3)29)24(35-17(5)31)23(21)34-16(4)30/h6-11,21-24H,12H2,1-5H3/t21-,22+,23-,24-/m0/s1
InChIKey NZPBPTGQWXJAHU-KIHHCIJBSA-N
Mol Weight 485.49 g/mol
Molecular Formula C24H27N3O8
Exact Mass 485.179815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlP3C5wWZad
Name (1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate
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Formula C24H27N3O8
InChI InChI=1S/C24H27N3O8/c1-13-6-8-18(9-7-13)20-11-27(26-25-20)21-10-19(12-32-14(2)28)22(33-15(3)29)24(35-17(5)31)23(21)34-16(4)30/h6-11,21-24H,12H2,1-5H3/t21-,22+,23-,24-/m0/s1
InChIKey NZPBPTGQWXJAHU-KIHHCIJBSA-N
Molecular Weight 485.493 g/mol
SMILES c1(nn[n](c1)[C@@]1([C@@]([C@@](OC(=O)C)([C@@](C(=C1)COC(=O)C)(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])-c1ccc(cc1)C
SPLASH splash10-01c3-2930000000-a3b22769423194688e78
Source of Spectrum U1-2014-3631-14b
Synonyms (1S,2S,3R,6S)-4-(acetoxymethyl)-6-(4-(p-tolyl)-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl triacetate
Wiley ID 1740710