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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-(4-{[4-(tert-butyl)-phenoxy]methyl}-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl Triacetate

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

(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-(4-{[4-(tert-butyl)-phenoxy]methyl}-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID CqPV1Km1N0g
InChI InChI=1S/C28H35N3O9/c1-16(32)36-14-20-12-24(26(39-18(3)34)27(40-19(4)35)25(20)38-17(2)33)31-13-22(29-30-31)15-37-23-10-8-21(9-11-23)28(5,6)7/h8-13,24-27H,14-15H2,1-7H3/t24-,25+,26-,27-/m0/s1
InChIKey UGIQZWDNPRGUJL-XUJYPJAKSA-N
Mol Weight 557.6 g/mol
Molecular Formula C28H35N3O9
Exact Mass 557.23733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8q2z5wM5YO8
Name (1S,2S,3R,6S)-4-(Acetoxymethyl)-6-(4-{[4-(tert-butyl)-phenoxy]methyl}-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl Triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35N3O9
InChI InChI=1S/C28H35N3O9/c1-16(32)36-14-20-12-24(26(39-18(3)34)27(40-19(4)35)25(20)38-17(2)33)31-13-22(29-30-31)15-37-23-10-8-21(9-11-23)28(5,6)7/h8-13,24-27H,14-15H2,1-7H3/t24-,25+,26-,27-/m0/s1
InChIKey UGIQZWDNPRGUJL-XUJYPJAKSA-N
Molecular Weight 557.600 g/mol
SMILES [C@]1([n]2nnc(c2)COc2ccc(C(C)(C)C)cc2)([C@@]([C@@](OC(=O)C)([C@@](C(=C1)COC(=O)C)(OC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-00y4-4900000000-9a16c7c65ed45e237418
Source of Spectrum U1-2014-3632-14i
Synonyms (1S,2S,3R,6S)-4-(Acetoxymethyl)-6-(4-{[4-(tert-butyl)-phenoxy]methyl}-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triylTriacetate (1S,2S,3R,6S)-4-(acetoxymethyl)-6-(4-((4-(tert-butyl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl triacetate
Wiley ID 1740703