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(3R,4R,6S,9S,10S,16R,18S)-4,9,10-tris((tert-butyldimethylsilyl)oxy)-3,6,16-trimethyl-18-((1E,3E)-2-methylnona-1,3-dien-1-yl)oxacyclooctadec-13-yn-2-one
SpectraBase Compound ID LQRjT346giO
InChI InChI=1S/C48H92O5Si3/c1-21-22-23-24-26-29-37(2)34-41-35-38(3)30-27-25-28-31-42(51-54(15,16)46(6,7)8)43(52-55(17,18)47(9,10)11)33-32-39(4)36-44(40(5)45(49)50-41)53-56(19,20)48(12,13)14/h26,29,34,38-44H,21-24,28,30-33,35-36H2,1-20H3/b29-26+,37-34+/t38-,39+,40-,41-,42+,43+,44-/m1/s1
InChIKey YLOSJWLAJKFCCR-BVRXFQBISA-N
Mol Weight 833.5 g/mol
Molecular Formula C48H92O5Si3
Exact Mass 832.625256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44229xAMtr9
Name (3R,4R,6S,9S,10S,16R,18S)-4,9,10-tris((tert-butyldimethylsilyl)oxy)-3,6,16-trimethyl-18-((1E,3E)-2-methylnona-1,3-dien-1-yl)oxacyclooctadec-13-yn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H92O5Si3
InChI InChI=1S/C48H92O5Si3/c1-21-22-23-24-26-29-37(2)34-41-35-38(3)30-27-25-28-31-42(51-54(15,16)46(6,7)8)43(52-55(17,18)47(9,10)11)33-32-39(4)36-44(40(5)45(49)50-41)53-56(19,20)48(12,13)14/h26,29,34,38-44H,21-24,28,30-33,35-36H2,1-20H3/b29-26+,37-34+/t38-,39+,40-,41-,42+,43+,44-/m1/s1
InChIKey YLOSJWLAJKFCCR-BVRXFQBISA-N
Literature Reference DOI 10.1002/anie.201106117
Molecular Weight 833.514 g/mol
SMILES C(C\C=C\C(C)=C\[C@@]1(C[C@](C)(CC#CCC[C@@]([C@@](O[Si](C(C)(C)C)(C)C)(CC[C@@](C[C@@](O[Si](C(C)(C)C)(C)C)([C@](C(O1)=O)(C)[H])[H])(C)[H])[H])(O[Si](C(C)(C)C)(C)C)[H])[H])[H])CCC
SPLASH splash10-00dj-9630031100-e3f695e7dcfa4fdf6c74
Source of Spectrum ACI-50-SMS16-33
Wiley ID 1780160