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DL-3-O-Allyl-6-O-benzyl-1-O-(p-methoxybenzyl)-myo-inositol
SpectraBase Compound ID 3REj96wrNzC
InChI InChI=1S/C24H30O7/c1-3-13-29-22-19(25)20(26)23(30-14-16-7-5-4-6-8-16)24(21(22)27)31-15-17-9-11-18(28-2)12-10-17/h3-12,19-27H,1,13-15H2,2H3/t19-,20-,21+,22+,23+,24+/m1/s1
InChIKey JLNDMTORFRAECJ-PPOWDTIZSA-N
Mol Weight 430.5 g/mol
Molecular Formula C24H30O7
Exact Mass 430.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jcMLNbeIh4
Name DL-3-O-Allyl-6-O-benzyl-1-O-(p-methoxybenzyl)-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O7
InChI InChI=1S/C24H30O7/c1-3-13-29-22-19(25)20(26)23(30-14-16-7-5-4-6-8-16)24(21(22)27)31-15-17-9-11-18(28-2)12-10-17/h3-12,19-27H,1,13-15H2,2H3/t19-,20-,21+,22+,23+,24+/m1/s1
InChIKey JLNDMTORFRAECJ-PPOWDTIZSA-N
Molecular Weight 430.497 g/mol
SMILES O[C@]1([C@@]([C@]([C@]([C@]([C@@]1(O)[H])(OCC=C)[H])(O)[H])(OCc1ccc(cc1)OC)[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-059i-1809000000-2b6d7320b5c4a3589206
Source of Spectrum J-62-8338-12
Synonyms (1R,2R,3S,4S,5S,6S)-3-(allyloxy)-6-(benzyloxy)-5-[(4-methoxybenzyl)oxy]-1,2,4-cyclohexanetriol
Wiley ID 1381559