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(+)-3,4,6-Tri-O-allyl-2,5-di-O-benzyl-1-O-(p-methoxybenzyl)-myo-inositol
SpectraBase Compound ID DELXQ0LZKER
InChI InChI=1S/C37H44O7/c1-5-22-39-32-33(40-23-6-2)36(43-26-29-16-12-9-13-17-29)37(44-27-30-18-20-31(38-4)21-19-30)34(41-24-7-3)35(32)42-25-28-14-10-8-11-15-28/h5-21,32-37H,1-3,22-27H2,4H3/t32-,33-,34+,35+,36+,37+/m0/s1
InChIKey FYWDJGYDKSTSJO-SOTIRQLOSA-N
Mol Weight 600.8 g/mol
Molecular Formula C37H44O7
Exact Mass 600.308704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jzrkj7PvbZl
Name (+)-3,4,6-Tri-O-allyl-2,5-di-O-benzyl-1-O-(p-methoxybenzyl)-myo-inositol
Alternate Name(s) 1-Methoxy-4-({[(1R,2R,3R,4S,5S,6R)-2,4,5-tris(allyloxy)-3,6-bis(benzyloxy)cyclohexyl]oxy}methyl)benzene
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Formula C37H44O7
InChI InChI=1S/C37H44O7/c1-5-22-39-32-33(40-23-6-2)36(43-26-29-16-12-9-13-17-29)37(44-27-30-18-20-31(38-4)21-19-30)34(41-24-7-3)35(32)42-25-28-14-10-8-11-15-28/h5-21,32-37H,1-3,22-27H2,4H3/t32-,33-,34+,35+,36+,37+/m0/s1
InChIKey FYWDJGYDKSTSJO-SOTIRQLOSA-N
Molecular Weight 600.752 g/mol
SMILES [C@]1([C@@]([C@](OCC=C)([C@@]([C@]([C@@]1(OCC=C)[H])(OCC=C)[H])(OCc1ccccc1)[H])[H])(OCc1ccc(cc1)OC)[H])(OCc1ccccc1)[H]
SPLASH splash10-0006-9000000000-5f2867057f4cefed24d6
Source of Spectrum J-63-5434-7
Wiley ID 1410172