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Methyl (E)-4-((2S,4R,6R)-4-((tert-butyldimethylsilyl)oxy)-6-((S,E)-4-iodo-2-methylbut-3-en-1-yl)-tetrahydro-2H-pyran-2-yl)but-2-enoate

View entire compound with spectra: 2 MS (GC)

Methyl (E)-4-((2S,4R,6R)-4-((tert-butyldimethylsilyl)oxy)-6-((S,E)-4-iodo-2-methylbut-3-en-1-yl)-tetrahydro-2H-pyran-2-yl)but-2-enoate
SpectraBase Compound ID 4AIsOc6pzbN
InChI InChI=1S/C21H37IO4Si/c1-16(11-12-22)13-18-15-19(26-27(6,7)21(2,3)4)14-17(25-18)9-8-10-20(23)24-5/h8,10-12,16-19H,9,13-15H2,1-7H3/b10-8+,12-11+/t16-,17+,18-,19-/m1/s1
InChIKey CPWHKVOIFIZHFN-DBFNRVBLSA-N
Mol Weight 508.5 g/mol
Molecular Formula C21H37IO4Si
Exact Mass 508.150581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BN063z08Bsm
Name Methyl (E)-4-((2S,4R,6R)-4-((tert-butyldimethylsilyl)oxy)-6-((S,E)-4-iodo-2-methylbut-3-en-1-yl)-tetrahydro-2H-pyran-2-yl)but-2-enoate
Appearance Colorless syrup
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.150581202 u
Formula C21H37IO4Si
InChI InChI=1S/C21H37IO4Si/c1-16(11-12-22)13-18-15-19(26-27(6,7)21(2,3)4)14-17(25-18)9-8-10-20(23)24-5/h8,10-12,16-19H,9,13-15H2,1-7H3/b10-8+,12-11+/t16-,17+,18-,19-/m1/s1
InChIKey CPWHKVOIFIZHFN-DBFNRVBLSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501491
Molecular Weight 508.512 g/mol
Optical Rotation [a]D20 = +92.8 (c = 1. 01, CH2Cl2)
Quality 86
Reported Formula C21H37O4SiI
SMILES C(\C=C\C(OC)=O)[C@@]1(O[C@@](C[C@@](C1)(O[Si](C(C)(C)C)(C)C)[H])(C[C@](C)(\C=C\I)[H])[H])[H]
SPLASH splash10-0ufr-1520900000-20c97ee61b0f283f7a9f
Source of Spectrum QE-21-SM27-11-epi-16 (DOI: 10.1002/chem.201501491)
Wiley ID 1906724