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(20R)-de-A,B-8.beta.-(tert-butyldimethylsilyl)oxy-20-[(p-toluenesulfonyl)oxymethyl]pregnane
SpectraBase Compound ID GZuOAUu8tPP
InChI InChI=1S/C26H44O4SSi/c1-19-11-13-21(14-12-19)31(27,28)29-18-20(2)22-15-16-23-24(10-9-17-26(22,23)6)30-32(7,8)25(3,4)5/h11-14,20,22-24H,9-10,15-18H2,1-8H3/t20-,22+,23-,24-,26+/m0/s1
InChIKey YPZVZHFTOWMQHV-ZNCFFGBLSA-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 6wDxJfWvxFm
Name (20R)-de-A,B-8.beta.-(tert-butyldimethylsilyl)oxy-20-[(p-toluenesulfonyl)oxymethyl]pregnane
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O4SSi
InChI InChI=1S/C26H44O4SSi/c1-19-11-13-21(14-12-19)31(27,28)29-18-20(2)22-15-16-23-24(10-9-17-26(22,23)6)30-32(7,8)25(3,4)5/h11-14,20,22-24H,9-10,15-18H2,1-8H3/t20-,22+,23-,24-,26+/m0/s1
InChIKey YPZVZHFTOWMQHV-ZNCFFGBLSA-N
Ionization Type EI
Molecular Weight 480.779 g/mol
Optical Rotation [a]D = +15.70 (c = 1.0, CHCl3)
SMILES C(OS(=O)(=O)c1ccc(cc1)C)[C@@]([C@]1(CC[C@]2([C@](CCC[C@]12C)(O[Si](C)(C)C(C)(C)C)[H])[H])[H])(C)[H]
SPLASH splash10-004i-1930000000-aad733cef413533f6679
Source of Spectrum AU2004260642B2
Wiley ID 1870271