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(+)-3,5,6-Tri-O-allyl-2,4-di-O-benzyl-1-O-(p-methoxybenzyl)-myo-inositol
SpectraBase Compound ID DiqbtseTjuu
InChI InChI=1S/C37H44O7/c1-5-22-39-32-33(40-23-6-2)36(44-27-30-18-20-31(38-4)21-19-30)37(43-26-29-16-12-9-13-17-29)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 IKCIAVBYFZVKEC-WAKDESNLSA-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 IbUZgUrAu7v
Name (+)-3,5,6-Tri-O-allyl-2,4-di-O-benzyl-1-O-(p-methoxybenzyl)-myo-inositol
Alternate Name(s) 1-Methoxy-4-({[(1R,2S,3S,4R,5S,6S)-2,3,5-tris(allyloxy)-4,6-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(44-27-30-18-20-31(38-4)21-19-30)37(43-26-29-16-12-9-13-17-29)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 IKCIAVBYFZVKEC-WAKDESNLSA-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])(OCc1ccccc1)[H])(OCc1ccc(cc1)OC)[H]
SPLASH splash10-0006-9000000000-e0dadbf46c38aa21ecc7
Source of Spectrum J-63-5436-19
Wiley ID 1410171