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(+-)-(6-endo-7-exo)-7-[4-[(tert-Butyldimethylsilyl)oxy]-3-methoxyphenyl]-3-methoxy-6-methyl-5-(2-propenyl)bicyclo[3.2.1]oct-3-ene-2,8-dione
SpectraBase Compound ID B8c042DnzdC
InChI InChI=1S/C26H36O5Si/c1-10-13-26-15-20(30-7)23(27)22(24(26)28)21(16(26)2)17-11-12-18(19(14-17)29-6)31-32(8,9)25(3,4)5/h10-16,21-22H,1-9H3/b13-10+/t16?,21-,22-,26-/m0/s1
InChIKey XXSMSGCISPUUTH-CGUHOWQPSA-N
Mol Weight 456.7 g/mol
Molecular Formula C26H36O5Si
Exact Mass 456.233201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJtPEODOQIs
Name (+-)-(6-endo-7-exo)-7-[4-[(tert-Butyldimethylsilyl)oxy]-3-methoxyphenyl]-3-methoxy-6-methyl-5-(2-propenyl)bicyclo[3.2.1]oct-3-ene-2,8-dione
Alternate Name(s) 7-(4-{[tert-butyl(dimethyl)silyl]oxy}-3-methoxyphenyl)-3-methoxy-6-methyl-5-[(1E)-1-propenyl]bicyclo[3.2.1]oct-3-ene-2,8-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O5Si
InChI InChI=1S/C26H36O5Si/c1-10-13-26-15-20(30-7)23(27)22(24(26)28)21(16(26)2)17-11-12-18(19(14-17)29-6)31-32(8,9)25(3,4)5/h10-16,21-22H,1-9H3/b13-10+/t16?,21-,22-,26-/m0/s1
InChIKey XXSMSGCISPUUTH-CGUHOWQPSA-N
Molecular Weight 456.654 g/mol
SMILES [C@@]12(C([C@@]([C@@](C2C)(c2cc(OC)c(cc2)O[Si](C(C)(C)C)(C)C)[H])(C(C(=C1)OC)=O)[H])=O)\C=C\C
SPLASH splash10-0002-0009200000-b68777d4407130a75422
Source of Spectrum J-58-5368-26
Wiley ID 1389341