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TMS(3)-5.alpha.-pregnane-3.alpha.,20.alpha.,21-triol-11-one
SpectraBase Compound ID C8DpN6LKGbV
InChI InChI=1S/C30H58O4Si3/c1-29-17-16-22(33-36(6,7)8)18-21(29)12-13-23-24-14-15-25(30(24,2)19-26(31)28(23)29)27(34-37(9,10)11)20-32-35(3,4)5/h21-25,27-28H,12-20H2,1-11H3/t21-,22+,23-,24-,25?,27+,28+,29-,30-/m0/s1
InChIKey TZQQJROZLDZMKQ-PZBVONKYSA-N
Mol Weight 567.0 g/mol
Molecular Formula C30H58O4Si3
Exact Mass 566.36429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38N4hf9YW5u
Name TMS(3)-5.alpha.-pregnane-3.alpha.,20.alpha.,21-triol-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H58O4Si3
InChI InChI=1S/C30H58O4Si3/c1-29-17-16-22(33-36(6,7)8)18-21(29)12-13-23-24-14-15-25(30(24,2)19-26(31)28(23)29)27(34-37(9,10)11)20-32-35(3,4)5/h21-25,27-28H,12-20H2,1-11H3/t21-,22+,23-,24-,25?,27+,28+,29-,30-/m0/s1
InChIKey TZQQJROZLDZMKQ-PZBVONKYSA-N
Molecular Weight 567.045 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(C(C2)=O)[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)[H])[H])(CCC1[C@](O[Si](C)(C)C)(CO[Si](C)(C)C)[H])[H])C
SPLASH splash10-0230-0179500000-2dc8e51442882852d847
Source of Spectrum KO-14-634-1
Synonyms (3alpha,5alpha,20S)-3,20,21-tris[(trimethylsilyl)oxy]pregnan-11-one 3,20,21-tris(trimethylsilyloxy)-5-pregnan-10-one
Wiley ID 1407317