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1-Methoxy-4-[[(1S,2R,3R,4S,5S,6R)-2,3,4,6-tetrakis(phenylmethoxy)-5-prop-2-enoxy-cyclohexyl]oxymethyl]benzene
SpectraBase Compound ID 5kNqqYQ8Pyq
InChI InChI=1S/C45H48O7/c1-3-28-47-40-41(48-29-34-16-8-4-9-17-34)43(50-31-36-20-12-6-13-21-36)45(51-32-37-22-14-7-15-23-37)44(42(40)49-30-35-18-10-5-11-19-35)52-33-38-24-26-39(46-2)27-25-38/h3-27,40-45H,1,28-33H2,2H3/t40-,41-,42+,43+,44-,45+/m0/s1
InChIKey LMWHIOFIYQSVMR-AQCZDHERSA-N
Mol Weight 700.9 g/mol
Molecular Formula C45H48O7
Exact Mass 700.340004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cqEJrhf07y
Name 1-Methoxy-4-[[(1S,2R,3R,4S,5S,6R)-2,3,4,6-tetrakis(phenylmethoxy)-5-prop-2-enoxy-cyclohexyl]oxymethyl]benzene
Alternate Name(s) 1-[[(1S,2R,3S,4S,5R,6R)-3-allyloxy-2,4,5,6-tetrabenzoxy-cyclohexoxy]methyl]-4-methoxy-benzene 1-[[(1S,2R,3S,4S,5R,6R)-3-allyloxy-2,4,5,6-tetrabenzyloxy-cyclohexoxy]methyl]-4-methoxy-benzene
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Formula C45H48O7
InChI InChI=1S/C45H48O7/c1-3-28-47-40-41(48-29-34-16-8-4-9-17-34)43(50-31-36-20-12-6-13-21-36)45(51-32-37-22-14-7-15-23-37)44(42(40)49-30-35-18-10-5-11-19-35)52-33-38-24-26-39(46-2)27-25-38/h3-27,40-45H,1,28-33H2,2H3/t40-,41-,42+,43+,44-,45+/m0/s1
InChIKey LMWHIOFIYQSVMR-AQCZDHERSA-N
Molecular Weight 700.872 g/mol
SMILES [C@]1([C@]([C@@](OCc2ccc(cc2)OC)([C@@]([C@]([C@@]1(OCc1ccccc1)[H])(OCC=C)[H])(OCc1ccccc1)[H])[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H]
SPLASH splash10-0006-9000003100-69462e363ebcfd301645
Source of Spectrum J-61-5907-9
Wiley ID 1415055