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1-[(3aR,5S,6S,6aR)-5-[(1R)-1-hydroxy-2-(4-methylphenyl)sulfonyloxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]triazole-4,5-dicarboxylic acid diethyl ester

View entire compound with spectra: 1 MS (GC)

1-[(3aR,5S,6S,6aR)-5-[(1R)-1-hydroxy-2-(4-methylphenyl)sulfonyloxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]triazole-4,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID HMuh1uERJMb
InChI InChI=1S/C24H31N3O11S/c1-6-33-21(29)16-17(22(30)34-7-2)27(26-25-16)18-19(36-23-20(18)37-24(4,5)38-23)15(28)12-35-39(31,32)14-10-8-13(3)9-11-14/h8-11,15,18-20,23,28H,6-7,12H2,1-5H3/t15-,18+,19-,20-,23-/m1/s1
InChIKey BASMBFQDVLITHK-MZOOLBHASA-N
Mol Weight 569.58 g/mol
Molecular Formula C24H31N3O11S
Exact Mass 569.16793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AV2MqxBzbPc
Name 1-[(3aR,5S,6S,6aR)-5-[(1R)-1-hydroxy-2-(4-methylphenyl)sulfonyloxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]triazole-4,5-dicarboxylic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31N3O11S
InChI InChI=1S/C24H31N3O11S/c1-6-33-21(29)16-17(22(30)34-7-2)27(26-25-16)18-19(36-23-20(18)37-24(4,5)38-23)15(28)12-35-39(31,32)14-10-8-13(3)9-11-14/h8-11,15,18-20,23,28H,6-7,12H2,1-5H3/t15-,18+,19-,20-,23-/m1/s1
InChIKey BASMBFQDVLITHK-MZOOLBHASA-N
Molecular Weight 569.582 g/mol
SMILES O[C@@]([C@@]1([C@]([n]2c(c(C(=O)OCC)nn2)C(=O)OCC)([C@@]2([C@@](OC(O2)(C)C)(O1)[H])[H])[H])[H])(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0ikc-9575040000-389873081e13fdc3d57d
Source of Spectrum F-55-10519-14
Synonyms 1-[(3aR,5S,6S,6aR)-5-[(1R)-1-hydroxy-2-tosyloxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]triazole-4,5-dicarboxylic acid diethyl ester Diethyl 1-[(3aR,5S,6S,6aR)-2,2-dimethyl-5-[(1R)-2-(4-methylphenyl)sulfonyloxy-1-oxidanyl-ethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-1,2,3-triazole-4,5-dicarboxylate Diethyl 1-[(3aR,5S,6S,6aR)-5-[(1R)-1-hydroxy-2-(4-methylphenyl)sulfonyloxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]triazole-4,5-dicarboxylate Diethyl 1-[(3aR,5S,6S,6aR)-5-[(1R)-1-hydroxy-2-(p-tolylsulfonyloxy)ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]triazole-4,5-dicarboxylate
Wiley ID 839015