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(3R,4R,7S,9S,11S,E)-9-((tert-Butyldimethylsilyl)oxy)-1-(dimethyl(phenyl)silyl)-4,7,11-trimethyl-13-((triethylsilyl)oxy)tridec-1-en-5-yn-3-ol
SpectraBase Compound ID LIjfsAoJ7NM
InChI InChI=1S/C36H66O3Si3/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/h17-21,25,27,30-33,35,37H,14-16,24,26,28-29H2,1-13H3/b27-25+/t30-,31+,32-,33-,35+/m1/s1
InChIKey MNSXKNKSCXZBJM-MNROEUOSSA-N
Mol Weight 631.2 g/mol
Molecular Formula C36H66O3Si3
Exact Mass 630.431976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4v4x0IZyjWW
Name (3R,4R,7S,9S,11S,E)-9-((tert-Butyldimethylsilyl)oxy)-1-(dimethyl(phenyl)silyl)-4,7,11-trimethyl-13-((triethylsilyl)oxy)tridec-1-en-5-yn-3-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H66O3Si3
InChI InChI=1S/C36H66O3Si3/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/h17-21,25,27,30-33,35,37H,14-16,24,26,28-29H2,1-13H3/b27-25+/t30-,31+,32-,33-,35+/m1/s1
InChIKey MNSXKNKSCXZBJM-MNROEUOSSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804987
Molecular Weight 631.176 g/mol
Optical Rotation [a]D20 = +47.0 (c = 1.0, CHCl3)
Reported Formula C36H66O3Si3
SMILES O[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])(\C=C\[Si](c1ccccc1)(C)C)[H]
SPLASH splash10-00dr-2910020000-4a8d6b3f38e447d9468f
Source of Spectrum QE-25-SM20-52
Wiley ID 1845982