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[(3aR,4S,5R,7aR)-4-methoxy-2,2-dimethyl-7-(7-methyl-3-methylene-oct-6-en-1-ynyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triisopropyl-silane

View entire compound with spectra: 1 MS (GC)

[(3aR,4S,5R,7aR)-4-methoxy-2,2-dimethyl-7-(7-methyl-3-methylene-oct-6-en-1-ynyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triisopropyl-silane
SpectraBase Compound ID JMSbIJdHVie
InChI InChI=1S/C29H48O4Si/c1-19(2)14-13-15-23(9)16-17-24-18-25(33-34(20(3)4,21(5)6)22(7)8)27(30-12)28-26(24)31-29(10,11)32-28/h14,18,20-22,25-28H,9,13,15H2,1-8,10-12H3/t25-,26-,27-,28-/m1/s1
InChIKey ZMEZPKKJIRMKTC-BIYDSLDMSA-N
Mol Weight 488.8 g/mol
Molecular Formula C29H48O4Si
Exact Mass 488.332187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12K7Bp0hqi
Name [(3aR,4S,5R,7aR)-4-methoxy-2,2-dimethyl-7-(7-methyl-3-methylene-oct-6-en-1-ynyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triisopropyl-silane
Appearance Clear light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O4Si
InChI InChI=1S/C29H48O4Si/c1-19(2)14-13-15-23(9)16-17-24-18-25(33-34(20(3)4,21(5)6)22(7)8)27(30-12)28-26(24)31-29(10,11)32-28/h14,18,20-22,25-28H,9,13,15H2,1-8,10-12H3/t25-,26-,27-,28-/m1/s1
InChIKey ZMEZPKKJIRMKTC-BIYDSLDMSA-N
Instrument Name Autospec Premier Micromass magnetic-sector
Ionization Type EI
Literature Reference DOI 10.1021/np4002866
Molecular Weight 488.784 g/mol
Optical Rotation [a]D = -46 (c = 0.5, CHCl3)
Reported Formula C29H48O4Si
SMILES [C@]1([C@]([C@]2([C@](C(=C1)C#CC(=C)CCC=C(C)C)([H])OC(C)(C)O2)[H])(OC)[H])(O[Si](C(C)C)(C(C)C)C(C)C)[H]
SPLASH splash10-014j-2911100000-7e128e734e4a58427b01
Source of Spectrum G4-76-1518-Compound 12
Thin-Layer Chromatography Rf = 0.4 (ethyl acetate/CH2Cl2/hexane, 0.5:2.5:5.5)
Wiley ID 1865684