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D-gluco-Heptonic acid, 2,6-anhydro-7-bromo-3,7-dideoxy-, methyl ester, diacetate
SpectraBase Compound ID 8VZeAVOYL2w
InChI InChI=1S/C12H17BrO7/c1-6(14)18-8-4-9(12(16)17-3)20-10(5-13)11(8)19-7(2)15/h8-11H,4-5H2,1-3H3/t8-,9+,10-,11-/m1/s1
InChIKey JHKVLUPAKASWPK-LMLFDSFASA-N
Mol Weight 353.17 g/mol
Molecular Formula C12H17BrO7
Exact Mass 352.015766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F21nvxGQFeY
Name D-gluco-Heptonic acid, 2,6-anhydro-7-bromo-3,7-dideoxy-, methyl ester, diacetate
Alternate Name(s) Methy .alpha.(2,6-anhydro-7-bromo-3-deoxy-D-arabinoheptulopyranosid)onate Methyl .beta.-(2,6-anhydro-4,5-di-O-acetyl-7-bromo-3-deoxy-D-arabinoheptulopyranosid)onate Methyl 4,5-di-O-acetyl-2,6-anhydro-7-bromo-3,7-dideoxy-L-ribo-heptonate
CAS Registry Number 118893-92-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17BrO7
InChI InChI=1S/C12H17BrO7/c1-6(14)18-8-4-9(12(16)17-3)20-10(5-13)11(8)19-7(2)15/h8-11H,4-5H2,1-3H3/t8-,9+,10-,11-/m1/s1
InChIKey JHKVLUPAKASWPK-LMLFDSFASA-N
Molecular Weight 353.165 g/mol
SMILES [C@@]1([C@@](C[C@](O[C@@]1(CBr)[H])(C(=O)OC)[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0udm-0290000000-63ce941158a34487a7a5
Source of Spectrum C-111-1865-17
Wiley ID 1342867