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(3-beta)-3-{[(t-Butyl)dimethylsilyl]oxy}-20-(hydroperoxy)pregna-5,16-dien-21-ol
SpectraBase Compound ID 3G8h9uzI5tW
InChI InChI=1S/C27H46O4Si/c1-25(2,3)32(6,7)31-19-12-14-26(4)18(16-19)8-9-20-21-10-11-23(24(17-28)30-29)27(21,5)15-13-22(20)26/h8,11,19-22,24,28-29H,9-10,12-17H2,1-7H3/t19-,20-,21-,22-,24+,26-,27-/m0/s1
InChIKey UGZOUWJHGKVFBK-MKTMYVOVSA-N
Mol Weight 462.7 g/mol
Molecular Formula C27H46O4Si
Exact Mass 462.316536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID z1jhfxxU8K
Name (3-beta)-3-{[(t-Butyl)dimethylsilyl]oxy}-20-(hydroperoxy)pregna-5,16-dien-21-ol
Alternate Name(s) (3beta,20S)-3-{[tert-butyl(dimethyl)silyl]oxy}-20-hydroperoxypregna-5,16-dien-21-ol 3-{[(t-Butyl)dimethylsilyl]oxy}-20-(hydroxyperoxy)pregna-5,16-dien-20-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O4Si
InChI InChI=1S/C27H46O4Si/c1-25(2,3)32(6,7)31-19-12-14-26(4)18(16-19)8-9-20-21-10-11-23(24(17-28)30-29)27(21,5)15-13-22(20)26/h8,11,19-22,24,28-29H,9-10,12-17H2,1-7H3/t19-,20-,21-,22-,24+,26-,27-/m0/s1
InChIKey UGZOUWJHGKVFBK-MKTMYVOVSA-N
Molecular Weight 462.746 g/mol
SMILES OO[C@](CO)(C=1[C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)[H])(CC1)[H])C)[H]
SPLASH splash10-004i-9000300000-a5ec22fdcd00242e2638
Source of Spectrum H-87-3001-9
Wiley ID 1564176