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1,4,5,6-tetra-O-benzyl-2,3-di-O-hexyl-myo-inositol
SpectraBase Compound ID CrF6bLNPI8t
InChI InChI=1S/C46H60O6/c1-3-5-7-21-31-47-41-42(48-32-22-8-6-4-2)44(50-34-38-25-15-10-16-26-38)46(52-36-40-29-19-12-20-30-40)45(51-35-39-27-17-11-18-28-39)43(41)49-33-37-23-13-9-14-24-37/h9-20,23-30,41-46H,3-8,21-22,31-36H2,1-2H3/t41-,42+,43-,44-,45+,46+/m0/s1
InChIKey OQIMFCQYZYMUKK-FVXCWUNESA-N
Mol Weight 709.0 g/mol
Molecular Formula C46H60O6
Exact Mass 708.43899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COwREXIUi2H
Name 1,4,5,6-tetra-O-benzyl-2,3-di-O-hexyl-myo-inositol
CAS Registry Number 135042-05-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H60O6
InChI InChI=1S/C46H60O6/c1-3-5-7-21-31-47-41-42(48-32-22-8-6-4-2)44(50-34-38-25-15-10-16-26-38)46(52-36-40-29-19-12-20-30-40)45(51-35-39-27-17-11-18-28-39)43(41)49-33-37-23-13-9-14-24-37/h9-20,23-30,41-46H,3-8,21-22,31-36H2,1-2H3/t41-,42+,43-,44-,45+,46+/m0/s1
InChIKey OQIMFCQYZYMUKK-FVXCWUNESA-N
Molecular Weight 708.980 g/mol
SMILES [C@]1([C@@]([C@@](OCc2ccccc2)([C@]([C@]([C@@]1(OCc1ccccc1)[H])(OCCCCCC)[H])(OCCCCCC)[H])[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H]
SPLASH splash10-0006-9000000000-89a422a9c3257ef05eaf
Source of Spectrum K-124-2276-14
Synonyms ({[(1R,2R,3S,4R,5S,6S)-2,3,6-tris(benzyloxy)-4,5-bis(hexyloxy)cyclohexyl]oxy}methyl)benzene
Wiley ID 1415297