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(-)-3,5,6-Tri-O-allyl-4-O-benzyl-myo-inositol
SpectraBase Compound ID 8NoQRRaxCLk
InChI InChI=1S/C22H30O6/c1-4-12-25-19-17(23)18(24)20(26-13-5-2)22(21(19)27-14-6-3)28-15-16-10-8-7-9-11-16/h4-11,17-24H,1-3,12-15H2/t17-,18+,19+,20+,21-,22-/m0/s1
InChIKey ZBNCJERDJRCTLO-JVTHYKSUSA-N
Mol Weight 390.48 g/mol
Molecular Formula C22H30O6
Exact Mass 390.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkHoi5PR3YZ
Name (-)-3,5,6-Tri-O-allyl-4-O-benzyl-myo-inositol
Alternate Name(s) (1R,2S,3R,4S,5S,6R)-3,4,6-tris(allyloxy)-5-(benzyloxy)-1,2-cyclohexanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O6
InChI InChI=1S/C22H30O6/c1-4-12-25-19-17(23)18(24)20(26-13-5-2)22(21(19)27-14-6-3)28-15-16-10-8-7-9-11-16/h4-11,17-24H,1-3,12-15H2/t17-,18+,19+,20+,21-,22-/m0/s1
InChIKey ZBNCJERDJRCTLO-JVTHYKSUSA-N
Molecular Weight 390.476 g/mol
SMILES O[C@]1([C@]([C@@]([C@]([C@@]([C@]1(O)[H])(OCC=C)[H])(OCC=C)[H])(OCc1ccccc1)[H])(OCC=C)[H])[H]
SPLASH splash10-0006-9000000000-c15dac81b7631519ab91
Source of Spectrum J-63-5435-17
Wiley ID 1364893