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1,4,5-tris(O-Acetyl)-D-myo-inositol
SpectraBase Compound ID 3ObqGBWqBWI
InChI InChI=1S/C12H18O9/c1-4(13)19-10-7(16)8(17)11(20-5(2)14)12(9(10)18)21-6(3)15/h7-12,16-18H,1-3H3/t7-,8-,9-,10-,11+,12+/m0/s1
InChIKey CVTMASDHMZOPHQ-DCHHYWPUSA-N
Mol Weight 306.27 g/mol
Molecular Formula C12H18O9
Exact Mass 306.095082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bL5d2FFgcz
Name 1,4,5-tris(O-Acetyl)-D-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O9
InChI InChI=1S/C12H18O9/c1-4(13)19-10-7(16)8(17)11(20-5(2)14)12(9(10)18)21-6(3)15/h7-12,16-18H,1-3H3/t7-,8-,9-,10-,11+,12+/m0/s1
InChIKey CVTMASDHMZOPHQ-DCHHYWPUSA-N
Molecular Weight 306.267 g/mol
SMILES O[C@]1([C@@]([C@@]([C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(O)[H])(OC(=O)C)[H])(O)[H])[H]
SPLASH splash10-00r6-9600000000-94963b0c8766a1e6a265
Source of Spectrum H-2005-3113-40
Synonyms (1R,2R,3S,4S,5S,6S)-2,4-bis(acetyloxy)-3,5,6-trihydroxycyclohexyl acetate
Wiley ID 1563082