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Bis(trimethylsilyl) derivative of methyl ester of 3.alpha.,20.alpha.-Dihydroxy-5.beta.-pregnan-11-one-21-oic acid or Bis(trimethylsilyl) derivative of 17-Deoxy-.alpha.-cortolic acid
SpectraBase Compound ID CQue5mTaQnO
InChI InChI=1S/C28H50O5Si2/c1-27-15-14-19(32-34(4,5)6)16-18(27)10-11-20-21-12-13-22(28(21,2)17-23(29)24(20)27)25(26(30)31-3)33-35(7,8)9/h18-22,24-25H,10-17H2,1-9H3/t18-,19+,20-,21-,22+,24+,25-,27-,28-/m0/s1
InChIKey BGLHLWOTBNXIBL-JRQFNHQMSA-N
Mol Weight 522.9 g/mol
Molecular Formula C28H50O5Si2
Exact Mass 522.319678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CxIE4cPQ0
Name Bis(trimethylsilyl) derivative of methyl ester of 3.alpha.,20.alpha.-Dihydroxy-5.beta.-pregnan-11-one-21-oic acid or Bis(trimethylsilyl) derivative of 17-Deoxy-.alpha.-cortolic acid
Alternate Name(s) Methyl (3alpha,5alpha,20S)-11-oxo-3,20-bis[(trimethylsilyl)oxy]pregnan-21-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50O5Si2
InChI InChI=1S/C28H50O5Si2/c1-27-15-14-19(32-34(4,5)6)16-18(27)10-11-20-21-12-13-22(28(21,2)17-23(29)24(20)27)25(26(30)31-3)33-35(7,8)9/h18-22,24-25H,10-17H2,1-9H3/t18-,19+,20-,21-,22+,24+,25-,27-,28-/m0/s1
InChIKey BGLHLWOTBNXIBL-JRQFNHQMSA-N
Molecular Weight 522.873 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])(CC[C@@]1([C@@](C(=O)OC)(O[Si](C)(C)C)[H])[H])[H])C
SPLASH splash10-00aj-5935400000-6563d09f6c503bb537e9
Source of Spectrum SH-1981-0-0
Wiley ID 1402246