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(8S,20R,22S)-Des-A,B-22-(hydroxymethyl)-8.beta.,25-bis[(triethylsilyl)oxy]-cholestane
SpectraBase Compound ID EvrdNR0AoVM
InChI InChI=1S/C31H64O3Si2/c1-11-35(12-2,13-3)33-29-18-17-22-31(10)27(19-20-28(29)31)25(7)26(24-32)21-23-30(8,9)34-36(14-4,15-5)16-6/h25-29,32H,11-24H2,1-10H3/t25-,26+,27+,28-,29-,31+/m0/s1
InChIKey PWERBLIYYPTPDN-LUFMFZFKSA-N
Mol Weight 541.0 g/mol
Molecular Formula C31H64O3Si2
Exact Mass 540.439399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HJmbncN1tQ
Name (8S,20R,22S)-Des-A,B-22-(hydroxymethyl)-8.beta.,25-bis[(triethylsilyl)oxy]-cholestane
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Formula C31H64O3Si2
InChI InChI=1S/C31H64O3Si2/c1-11-35(12-2,13-3)33-29-18-17-22-31(10)27(19-20-28(29)31)25(7)26(24-32)21-23-30(8,9)34-36(14-4,15-5)16-6/h25-29,32H,11-24H2,1-10H3/t25-,26+,27+,28-,29-,31+/m0/s1
InChIKey PWERBLIYYPTPDN-LUFMFZFKSA-N
Instrument Name Micromass AutoSpec
Ionization Type EI
Literature Reference DOI 10.1021/jm300187x
Molecular Weight 541.020 g/mol
Reported Formula C31H64O3Si2
SMILES OC[C@]([C@@]([C@]1(CC[C@@]2([C@@]1(CCC[C@@]2(O[Si](CC)(CC)CC)[H])C)[H])[H])(C)[H])(CCC(O[Si](CC)(CC)CC)(C)C)[H]
SPLASH splash10-08mu-0943000000-e32ea7e4c97665ae2fe0
Source of Spectrum AF-55-SM4-15b
Wiley ID 1852043