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((3aS,4R,6aS)-2,2-dimethyl-6-oxotetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl trifluoromethanesulfonate structure
((3aS,4R,6aS)-2,2-dimethyl-6-oxotetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl trifluoromethanesulfonate structure

((3aS,4R,6aS)-2,2-dimethyl-6-oxotetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl trifluoromethanesulfonate

Iupac Name:20-[(2-methylpropan-2-yl)oxy]-20-oxoicosanoic acid
CAS No.:683239-16-9
Molecular Weight:398.628
1. Names and Identifiers
1.1 Name
((3aS,4R,6aS)-2,2-dimethyl-6-oxotetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl trifluoromethanesulfonate
1.2 CAS No.
683239-16-9
1.3 CID
59769800
1.4 Molecular Formula
F7HOLIY (isomer)
1.5 Inchi
InChI=1S/C24H46O4/c1-24(2,3)28-23(27)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(25)26/h4-21H2,1-3H3,(H,25,26)
1.6 InChkey
JUCDAUSILDWYOA-UHFFFAOYSA-N
1.7 Canonical Smiles
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)O
1.8 Isomers Smiles
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)O
2. Computational chemical data
  • Molecular Weight:398.628g/mol
  • Molecular Formula:F7HOLIY
  • Compound Is Canonicalized:True
  • Exact Mass:398.34
  • Monoisotopic Mass:398.34
  • Complexity:385
  • Rotatable Bond Count:21
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:63.6A^2
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADESAgAACCAAABgAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAACQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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20-(Tert-Butoxy)-20-Oxoicosanoic Acid CAS 683239-16-9
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/07/14
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high quality Eicosandioic acid, 1-(1,1-dimethyl) ester 683239-16-9
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/02/25
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20-(Tert-Butoxy)-20-Oxoicosanoic Acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/01
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20-(Tert-Butoxy)-20-Oxoicosanoic Acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/01
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20-(Tert-Butoxy)-20-Oxoicosanoic Acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/01
Inquire