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(Z)-(16-((tert-Butyldimethylsilyl)oxy)hexadec-9-enoyl)-L-alanine Methyl Ester
SpectraBase Compound ID 9b6TqUrbIuF
InChI InChI=1S/C26H51NO4Si/c1-23(25(29)30-5)27-24(28)21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-31-32(6,7)26(2,3)4/h8,10,23H,9,11-22H2,1-7H3,(H,27,28)/b10-8-/t23-/m1/s1
InChIKey YRHLAJJBSKTSHV-MLJJGGTESA-N
Mol Weight 469.8 g/mol
Molecular Formula C26H51NO4Si
Exact Mass 469.358736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2krfquCiRZq
Name (Z)-(16-((tert-Butyldimethylsilyl)oxy)hexadec-9-enoyl)-L-alanine Methyl Ester
Appearance Colorless liquid
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Formula C26H51NO4Si
InChI InChI=1S/C26H51NO4Si/c1-23(25(29)30-5)27-24(28)21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-31-32(6,7)26(2,3)4/h8,10,23H,9,11-22H2,1-7H3,(H,27,28)/b10-8-/t23-/m1/s1
InChIKey YRHLAJJBSKTSHV-MLJJGGTESA-N
Instrument Name HP 6890-5973 or Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00757
Molecular Weight 469.782 g/mol
Optical Rotation [a]D20 = -0.98 +/- 0.05 (c = 0.0215, CH2Cl2)
SMILES N(C(CCCCCCC\C=C/CCCCCCO[Si](C(C)(C)C)(C)C)=O)[C@@](C(=O)OC)(C)[H]
SPLASH splash10-03di-2100900000-9b0e53b3f96e86fc4a61
Source of Spectrum G4-81-136-11
Thin-Layer Chromatography Rf = 0.4 (pentane/EtOAc, 4:1)
Wiley ID 1867635