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Tristrimethylsilyl 3.alpha.,20.beta.,21-trihydroxy-5.beta.-pregnane
SpectraBase Compound ID 7G64IZA5hS
InChI InChI=1S/C30H60O3Si3/c1-29-18-16-23(32-35(6,7)8)20-22(29)12-13-24-25-14-15-27(30(25,2)19-17-26(24)29)28(33-36(9,10)11)21-31-34(3,4)5/h22-28H,12-21H2,1-11H3/t22-,23-,24+,25+,26+,27-,28-,29+,30+/m1/s1
InChIKey PCDMVFRHMJMCFX-CXQNJVIQSA-N
Mol Weight 553.1 g/mol
Molecular Formula C30H60O3Si3
Exact Mass 552.385025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKYAniZvfeT
Name Tristrimethylsilyl 3.alpha.,20.beta.,21-trihydroxy-5.beta.-pregnane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H60O3Si3
InChI InChI=1S/C30H60O3Si3/c1-29-18-16-23(32-35(6,7)8)20-22(29)12-13-24-25-14-15-27(30(25,2)19-17-26(24)29)28(33-36(9,10)11)21-31-34(3,4)5/h22-28H,12-21H2,1-11H3/t22-,23-,24+,25+,26+,27-,28-,29+,30+/m1/s1
InChIKey PCDMVFRHMJMCFX-CXQNJVIQSA-N
Molecular Weight 553.062 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@](O[Si](C)(C)C)(CO[Si](C)(C)C)[H])[H])[H])C
SPLASH splash10-07kb-0951100000-b83036ee81b9ae101b09
Source of Spectrum BS-5-15-0
Synonyms 5.alpha.-Pregnane-3.alpha.,20.beta.,21-triol (3alpha,5beta,20S)-3,20,21-tris[(trimethylsilyl)oxy]pregnane 5.beta.-pregnane-3.alpha.,20.beta.,21-triol
Wiley ID 1405959