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26,27-Dinorcholest-5-en-22-yn-20-ol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (3.beta.)-
SpectraBase Compound ID 5PDlscr9J9W
InChI InChI=1S/C31H52O2Si/c1-10-11-18-31(7,32)27-15-14-25-24-13-12-22-21-23(33-34(8,9)28(2,3)4)16-19-29(22,5)26(24)17-20-30(25,27)6/h12,23-27,32H,10,13-17,19-21H2,1-9H3/t23-,24-,25-,26-,27-,29-,30-,31-/m0/s1
InChIKey OEMCWMKVJZOOIT-IYBIRSQRSA-N
Mol Weight 484.8 g/mol
Molecular Formula C31H52O2Si
Exact Mass 484.373657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqeuG3xJfUY
Name 26,27-Dinorcholest-5-en-22-yn-20-ol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (3.beta.)-
Alternate Name(s) (2R)-2-[(1S,2R,5S,10S,11S,14S,15S)-5-[(tert-butyldimethylsilyl)oxy]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]hex-3-yn-2-ol 3.beta.-t-butyldimethylsilyloxy-26,27-dinor-cholest-5-en-22-yn-20(R)-ol
CAS Registry Number 115884-38-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O2Si
InChI InChI=1S/C31H52O2Si/c1-10-11-18-31(7,32)27-15-14-25-24-13-12-22-21-23(33-34(8,9)28(2,3)4)16-19-29(22,5)26(24)17-20-30(25,27)6/h12,23-27,32H,10,13-17,19-21H2,1-9H3/t23-,24-,25-,26-,27-,29-,30-,31-/m0/s1
InChIKey OEMCWMKVJZOOIT-IYBIRSQRSA-N
Molecular Weight 484.840 g/mol
SMILES O[C@@](C#CCC)([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])C
SPLASH splash10-004i-0003900000-8e71794ce5cf17270bb8
Source of Spectrum F-44-1148-14
Wiley ID 1396149