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4-O-Benzyl-6-O-(.alpha.-methoxybenzyl)-myo-inositol orthoformate
SpectraBase Compound ID IJPARIWfHe0
InChI InChI=1S/C22H24O7/c1-24-21(14-10-6-3-7-11-14)26-19-17-15(23)16-18(20(19)29-22(27-16)28-17)25-12-13-8-4-2-5-9-13/h2-11,15-23H,12H2,1H3/t15-,16+,17-,18-,19+,20+,21?,22-/m0/s1
InChIKey TWFPQPTVNXJBLB-QWFIWLNDSA-N
Mol Weight 400.43 g/mol
Molecular Formula C22H24O7
Exact Mass 400.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ALZvEyM1sZ
Name 4-O-Benzyl-6-O-(.alpha.-methoxybenzyl)-myo-inositol orthoformate
Alternate Name(s) 8-(benzyloxy)-9-[methoxy(phenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.1(3,7)]decan-6-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O7
InChI InChI=1S/C22H24O7/c1-24-21(14-10-6-3-7-11-14)26-19-17-15(23)16-18(20(19)29-22(27-16)28-17)25-12-13-8-4-2-5-9-13/h2-11,15-23H,12H2,1H3/t15-,16+,17-,18-,19+,20+,21?,22-/m0/s1
InChIKey TWFPQPTVNXJBLB-QWFIWLNDSA-N
Molecular Weight 400.427 g/mol
SMILES O[C@]1([C@@]2([C@@]([C@@]3([C@@]([C@]1(O[C@](O2)(O3)[H])[H])(OC(c1ccccc1)OC)[H])[H])(OCc1ccccc1)[H])[H])[H]
SPLASH splash10-0udi-0000900000-273399eab98aefabfd71
Source of Spectrum KC-0-1092-14
Wiley ID 822322