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(4R,5R,8S,10S,12S)-10-((tert-Butyldimethylsilyl)oxy)-4-((E)-2-(dimethyl(phenyl)silyl)vinyl)-5,8,12-trimethyl-1,3-dioxacyclotetradec-6-yn-2-one

View entire compound with spectra: 1 MS (GC)

(4R,5R,8S,10S,12S)-10-((tert-Butyldimethylsilyl)oxy)-4-((E)-2-(dimethyl(phenyl)silyl)vinyl)-5,8,12-trimethyl-1,3-dioxacyclotetradec-6-yn-2-one
SpectraBase Compound ID A0ZQjVPwJxD
InChI InChI=1S/C31H50O4Si2/c1-24-16-17-26(3)29(19-21-36(7,8)28-14-12-11-13-15-28)34-30(32)33-20-18-25(2)23-27(22-24)35-37(9,10)31(4,5)6/h11-15,19,21,24-27,29H,18,20,22-23H2,1-10H3/b21-19+/t24-,25+,26-,27-,29+/m1/s1
InChIKey ZGZBGPXOYXJGFN-MWPPZIPTSA-N
Mol Weight 542.9 g/mol
Molecular Formula C31H50O4Si2
Exact Mass 542.324763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HStvBkoGh1e
Name (4R,5R,8S,10S,12S)-10-((tert-Butyldimethylsilyl)oxy)-4-((E)-2-(dimethyl(phenyl)silyl)vinyl)-5,8,12-trimethyl-1,3-dioxacyclotetradec-6-yn-2-one
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50O4Si2
InChI InChI=1S/C31H50O4Si2/c1-24-16-17-26(3)29(19-21-36(7,8)28-14-12-11-13-15-28)34-30(32)33-20-18-25(2)23-27(22-24)35-37(9,10)31(4,5)6/h11-15,19,21,24-27,29H,18,20,22-23H2,1-10H3/b21-19+/t24-,25+,26-,27-,29+/m1/s1
InChIKey ZGZBGPXOYXJGFN-MWPPZIPTSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804987
Molecular Weight 542.907 g/mol
Optical Rotation [a]D20 = +65.2 (c = 1.0, CHCl3)
Reported Formula C31H50O4Si2
SMILES [C@@]1(C#C[C@]([C@@](OC(OCC[C@@](C[C@@](C1)(O[Si](C(C)(C)C)(C)C)[H])(C)[H])=O)(\C=C\[Si](c1ccccc1)(C)C)[H])(C)[H])(C)[H]
SPLASH splash10-000i-1900000000-b17ba8da490fe1b16254
Source of Spectrum QE-25-SM19-51
Wiley ID 1845981