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Cholest-5-en-22-yne-20,25-diol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (3.beta.)-
SpectraBase Compound ID 1KXHgPZwfD6
InChI InChI=1S/C33H56O3Si/c1-29(2,3)37(9,10)36-24-16-20-31(6)23(22-24)12-13-25-26-14-15-28(32(26,7)21-17-27(25)31)33(8,35)19-11-18-30(4,5)34/h12,24-28,34-35H,13-18,20-22H2,1-10H3/t24-,25-,26-,27-,28-,31-,32-,33-/m0/s1
InChIKey NFUJDMZPRNXIQH-ZHYKQOQMSA-N
Mol Weight 528.9 g/mol
Molecular Formula C33H56O3Si
Exact Mass 528.399872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbFGeDvpmSA
Name Cholest-5-en-22-yne-20,25-diol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (3.beta.)-
CAS Registry Number 115910-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H56O3Si
InChI InChI=1S/C33H56O3Si/c1-29(2,3)37(9,10)36-24-16-20-31(6)23(22-24)12-13-25-26-14-15-28(32(26,7)21-17-27(25)31)33(8,35)19-11-18-30(4,5)34/h12,24-28,34-35H,13-18,20-22H2,1-10H3/t24-,25-,26-,27-,28-,31-,32-,33-/m0/s1
InChIKey NFUJDMZPRNXIQH-ZHYKQOQMSA-N
Molecular Weight 528.893 g/mol
SMILES OC(CC#C[C@@]([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])(O)C)(C)C
SPLASH splash10-00di-0002900000-65d177b27d29090ca46a
Source of Spectrum F-44-1148-14
Synonyms (3beta)-3-{[tert-butyl(dimethyl)silyl]oxy}cholest-5-en-22-yne-20,25-diol 3.beta.-t-butyldimethylsilyloxy-cholest-5-en-22-yn-20(R),25-diol
Wiley ID 1403132