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Methyl (E)-4-((2S,4R,6R)-4-((tert-butyldimethylsilyl)oxy)-6-((S,E)-2-methylhept-3-en-5-yn-1-yl)-tetrahydro-2H-pyran-2-yl)but-2-enoate

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Methyl (E)-4-((2S,4R,6R)-4-((tert-butyldimethylsilyl)oxy)-6-((S,E)-2-methylhept-3-en-5-yn-1-yl)-tetrahydro-2H-pyran-2-yl)but-2-enoate
SpectraBase Compound ID 3DNP1zDqkO3
InChI InChI=1S/C24H40O4Si/c1-9-10-11-13-19(2)16-21-18-22(28-29(7,8)24(3,4)5)17-20(27-21)14-12-15-23(25)26-6/h11-13,15,19-22H,14,16-18H2,1-8H3/b13-11+,15-12+/t19-,20+,21-,22-/m1/s1
InChIKey HWDVJFQZRPKPGK-PFGBFOAMSA-N
Mol Weight 420.7 g/mol
Molecular Formula C24H40O4Si
Exact Mass 420.269586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xbDKGyLiTx
Name Methyl (E)-4-((2S,4R,6R)-4-((tert-butyldimethylsilyl)oxy)-6-((S,E)-2-methylhept-3-en-5-yn-1-yl)-tetrahydro-2H-pyran-2-yl)but-2-enoate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O4Si
InChI InChI=1S/C24H40O4Si/c1-9-10-11-13-19(2)16-21-18-22(28-29(7,8)24(3,4)5)17-20(27-21)14-12-15-23(25)26-6/h11-13,15,19-22H,14,16-18H2,1-8H3/b13-11+,15-12+/t19-,20+,21-,22-/m1/s1
InChIKey HWDVJFQZRPKPGK-PFGBFOAMSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501491
Molecular Weight 420.665 g/mol
Optical Rotation [a]D20 = +93.8 (c = 0.99, CH2Cl2)
Quality 433
Reported Formula C24H40O4Si
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\C#CC)[H])[H])[H]
SPLASH splash10-004l-9811000000-ad596232e4de869a2e3b
Source of Spectrum QE-21-SM28-11-epi-(E)-17 (DOI: 10.1002/chem.201501491)
Wiley ID 1906720