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(8S,20R)-Des-A,B-8-[(triethylsilyl)oxy]-20-[(p-toluenesulfonyl)oxy]methyl-pregnane
SpectraBase Compound ID 5KbwRBxTOlS
InChI InChI=1S/C26H44O4SSi/c1-7-32(8-2,9-3)30-25-11-10-18-26(6)23(16-17-24(25)26)21(5)19-29-31(27,28)22-14-12-20(4)13-15-22/h12-15,21,23-25H,7-11,16-19H2,1-6H3/t21-,23+,24-,25-,26+/m0/s1
InChIKey AFHQSLCJLLKIKL-VEGUDHRVSA-N
Mol Weight 480.8 g/mol
Molecular Formula C26H44O4SSi
Exact Mass 480.272958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dl790vZlCoW
Name (8S,20R)-Des-A,B-8-[(triethylsilyl)oxy]-20-[(p-toluenesulfonyl)oxy]methyl-pregnane
Appearance Colorless oil
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Formula C26H44O4SSi
InChI InChI=1S/C26H44O4SSi/c1-7-32(8-2,9-3)30-25-11-10-18-26(6)23(16-17-24(25)26)21(5)19-29-31(27,28)22-14-12-20(4)13-15-22/h12-15,21,23-25H,7-11,16-19H2,1-6H3/t21-,23+,24-,25-,26+/m0/s1
InChIKey AFHQSLCJLLKIKL-VEGUDHRVSA-N
Ionization Type EI
Molecular Weight 480.779 g/mol
Optical Rotation [a]D = +8.8 (c = 1.0, CHCl3)
SMILES C1C[C@]2([C@]([C@](C1)(O[Si](CC)(CC)CC)[H])(CC[C@@]2([C@@](C)(COS(c1ccc(cc1)C)(=O)=O)[H])[H])[H])C
SPLASH splash10-056r-0970200000-312f24a8999a0b8f7826
Source of Spectrum US2012165300A1
Wiley ID 1849465