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2,4,5-TRI-O-ACETYL-3,6-DI-O-BENZYL-D-MYO-INOSITOL
SpectraBase Compound ID HcLobeDrGSM
InChI InChI=1S/C26H30O9/c1-16(27)33-23-21(30)22(31-14-19-10-6-4-7-11-19)25(34-17(2)28)26(35-18(3)29)24(23)32-15-20-12-8-5-9-13-20/h4-13,21-26,30H,14-15H2,1-3H3/t21-,22-,23-,24-,25+,26+/m0/s1
InChIKey XAIIXWZLKAWSMO-MGEKTERKSA-N
Mol Weight 486.52 g/mol
Molecular Formula C26H30O9
Exact Mass 486.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EN0kYW0bJF4
Name 2,4,5-tris[O-Acetyl]-3,6-di[O-benzyl]-D-myo-inositol
Alternate Name(s) (1R,2R,3S,4S,5S,6S)-2,4-bis(acetyloxy)-3,6-bis(benzyloxy)-5-hydroxycyclohexyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O9
InChI InChI=1S/C26H30O9/c1-16(27)33-23-21(30)22(31-14-19-10-6-4-7-11-19)25(34-17(2)28)26(35-18(3)29)24(23)32-15-20-12-8-5-9-13-20/h4-13,21-26,30H,14-15H2,1-3H3/t21-,22-,23-,24-,25+,26+/m0/s1
InChIKey XAIIXWZLKAWSMO-MGEKTERKSA-N
Molecular Weight 486.517 g/mol
SMILES O[C@@]1([C@@]([C@@]([C@]([C@@]([C@]1(OCc1ccccc1)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OCc1ccccc1)[H])(OC(=O)C)[H])[H]
SPLASH splash10-0006-9232000000-2864776881c95a328f44
Source of Spectrum H-2005-3110-28
Wiley ID 1563086