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methyl (2R,3R,5S)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,5-dimethyl-heptanoate
SpectraBase Compound ID EvyHKnofTqb
InChI InChI=1S/C26H38O4Si/c1-20(19-24(27)21(2)25(28)29-6)17-18-30-31(26(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,24,27H,17-19H2,1-6H3/t20-,21+,24+/m0/s1
InChIKey JNKFEJZZTOJQAM-YZUZCNPQSA-N
Mol Weight 442.7 g/mol
Molecular Formula C26H38O4Si
Exact Mass 442.253936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xDax1UrbH7
Name methyl (2R,3R,5S)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,5-dimethyl-heptanoate
Appearance Colorless oil
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Exact Mass 442.253936235 u
Formula C26H38O4Si
InChI InChI=1S/C26H38O4Si/c1-20(19-24(27)21(2)25(28)29-6)17-18-30-31(26(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,24,27H,17-19H2,1-6H3/t20-,21+,24+/m0/s1
InChIKey JNKFEJZZTOJQAM-YZUZCNPQSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404873
Molecular Weight 442.671 g/mol
Optical Rotation [a]D20 = +0.7 (c = 1.0, CHCl3)
Quality 142
Reported Formula C26H38O4Si
SMILES O[C@](C[C@](CCO[Si](C(C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1)(C)[H])([C@](C(OC)=O)(C)[H])[H]
SPLASH splash10-0a4j-1926000000-5c1b026437be365eb418
Sample Comments dr = 85:15
Source of Spectrum QE-21-SM12-S26 (DOI: 10.1002/chem.201404873)
Wiley ID 1906308