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Furo[2,3-d]-1,3-dioxol-6-ol, 5-(1H-benzimidazol-2-yl)-3a,6a-dihydro-2,2-dimethyl-, 4-methylbenzenesulfonate (ester), (3aR-cis)-
SpectraBase Compound ID IZkziN4NgtI
InChI InChI=1S/C21H20N2O6S/c1-12-8-10-13(11-9-12)30(24,25)29-16-17(26-20-18(16)27-21(2,3)28-20)19-22-14-6-4-5-7-15(14)23-19/h4-11,18,20H,1-3H3,(H,22,23)/t18-,20-/m1/s1
InChIKey CUGLPYXDFRZCTA-UYAOXDASSA-N
Mol Weight 428.46 g/mol
Molecular Formula C21H20N2O6S
Exact Mass 428.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LM9vfzjHgp
Name Furo[2,3-d]-1,3-dioxol-6-ol, 5-(1H-benzimidazol-2-yl)-3a,6a-dihydro-2,2-dimethyl-, 4-methylbenzenesulfonate (ester), (3aR-cis)-
CAS Registry Number 71478-21-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O6S
InChI InChI=1S/C21H20N2O6S/c1-12-8-10-13(11-9-12)30(24,25)29-16-17(26-20-18(16)27-21(2,3)28-20)19-22-14-6-4-5-7-15(14)23-19/h4-11,18,20H,1-3H3,(H,22,23)/t18-,20-/m1/s1
InChIKey CUGLPYXDFRZCTA-UYAOXDASSA-N
Molecular Weight 428.459 g/mol
SMILES [nH]1c2ccccc2nc1C1=C([C@@]2([C@](OC(O2)(C)C)([H])O1)[H])OS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-052f-9020000000-264682f9b281d083e95e
Source of Spectrum H-62-1301-0
Synonyms (3aR,6aR)-5-(1H-benzimidazol-2-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-yl 4-methylbenzenesulfonate 2-(1,2-O-isopropylidene-3-O-(p-toluenesulfonyl)-3-.alpha.-D-glycero-tetreno-4-furannosyl)benzoimidazole
Wiley ID 1380599