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(1E,3R,4R,5E,7S,9S,11S)-9-((tert-Butyldimethylsilyl)oxy)-1-(dimethyl(phenyl)silyl)-4,7,11-trimethyl-13-((triethylsilyl)oxy)trideca-1,5-dien-3-ol
SpectraBase Compound ID HWVBZBR9TNZ
InChI InChI=1S/C36H68O3Si3/c1-14-42(15-2,16-3)38-26-24-31(5)29-33(39-41(12,13)36(7,8)9)28-30(4)22-23-32(6)35(37)25-27-40(10,11)34-20-18-17-19-21-34/h17-23,25,27,30-33,35,37H,14-16,24,26,28-29H2,1-13H3/b23-22+,27-25+/t30-,31+,32-,33-,35+/m1/s1
InChIKey JDHWAIUFKIPLIR-CNXWZEQQSA-N
Mol Weight 633.2 g/mol
Molecular Formula C36H68O3Si3
Exact Mass 632.447626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0P4uhHYFh1
Name (1E,3R,4R,5E,7S,9S,11S)-9-((tert-Butyldimethylsilyl)oxy)-1-(dimethyl(phenyl)silyl)-4,7,11-trimethyl-13-((triethylsilyl)oxy)trideca-1,5-dien-3-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H68O3Si3
InChI InChI=1S/C36H68O3Si3/c1-14-42(15-2,16-3)38-26-24-31(5)29-33(39-41(12,13)36(7,8)9)28-30(4)22-23-32(6)35(37)25-27-40(10,11)34-20-18-17-19-21-34/h17-23,25,27,30-33,35,37H,14-16,24,26,28-29H2,1-13H3/b23-22+,27-25+/t30-,31+,32-,33-,35+/m1/s1
InChIKey JDHWAIUFKIPLIR-CNXWZEQQSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804987
Molecular Weight 633.192 g/mol
Optical Rotation [a]D20 = +23.1 (c = 0.45, CHCl3)
Reported Formula C36H68O3Si3
SMILES O[C@@](\C=C\[Si](c1ccccc1)(C)C)([C@@](\C=C\[C@](C[C@](C[C@@](C)(CCO[Si](CC)(CC)CC)[H])(O[Si](C(C)(C)C)(C)C)[H])(C)[H])(C)[H])[H]
SPLASH splash10-003j-8900000000-5795450ed39c20f1bc33
Source of Spectrum QE-25-SM20-54
Wiley ID 1845983