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(8S,20S)-Des-A,B-20-(cyano-dimethyl-methyl)-8.beta.-[(triethylsilyl)oxy]-pregnane
SpectraBase Compound ID IwOT1iHf4Pv
InChI InChI=1S/C22H41NOSi/c1-8-25(9-2,10-3)24-20-12-11-15-22(7)18(13-14-19(20)22)17(4)21(5,6)16-23/h17-20H,8-15H2,1-7H3/t17-,18+,19-,20-,22+/m0/s1
InChIKey XAYNVJMDWVIWSS-UTNFEIGLSA-N
Mol Weight 363.7 g/mol
Molecular Formula C22H41NOSi
Exact Mass 363.295741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Fhht9G1Ee
Name (8S,20S)-Des-A,B-20-(cyano-dimethyl-methyl)-8.beta.-[(triethylsilyl)oxy]-pregnane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H41NOSi
InChI InChI=1S/C22H41NOSi/c1-8-25(9-2,10-3)24-20-12-11-15-22(7)18(13-14-19(20)22)17(4)21(5,6)16-23/h17-20H,8-15H2,1-7H3/t17-,18+,19-,20-,22+/m0/s1
InChIKey XAYNVJMDWVIWSS-UTNFEIGLSA-N
Instrument Name Micromass AutoSpec
Ionization Type EI
Literature Reference DOI 10.1021/jm300187x
Molecular Weight 363.661 g/mol
Optical Rotation [a]D = +34.5 (c = 1.0, CHCl3)
Reported Formula C22H41ONSi
SMILES C1C[C@]2([C@]([C@](C1)(O[Si](CC)(CC)CC)[H])(CC[C@@]2([C@](C)(C(C)(C)C#N)[H])[H])[H])C
SPLASH splash10-0h60-2719000000-f32c9f7c63bf41a9fb04
Source of Spectrum AF-55-SM9-29
Wiley ID 1852057