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17-.beta.-Hydroxy-4,5-secoandrost-3-yn-5-one tert-butyldimethylsilyl ether

View entire compound with spectra: 1 NMR, and 1 MS (GC)

17-.beta.-Hydroxy-4,5-secoandrost-3-yn-5-one tert-butyldimethylsilyl ether
SpectraBase Compound ID 27IZFOaa1Vh
InChI InChI=1S/C25H42O2Si/c1-9-10-16-24(5)20-15-17-25(6)19(18(20)11-13-21(24)26)12-14-22(25)27-28(7,8)23(2,3)4/h1,18-20,22H,10-17H2,2-8H3/t18-,19-,20-,22-,24+,25-/m0/s1
InChIKey URTKJJQTAUQNBZ-FJZBUURQSA-N
Mol Weight 402.7 g/mol
Molecular Formula C25H42O2Si
Exact Mass 402.295407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Nly8CKUfhb
Name 17-.beta.-Hydroxy-4,5-secoandrost-3-yn-5-one tert-butyldimethylsilyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.295407125 u
Formula C25H42O2Si
InChI InChI=1S/C25H42O2Si/c1-9-10-16-24(5)20-15-17-25(6)19(18(20)11-13-21(24)26)12-14-22(25)27-28(7,8)23(2,3)4/h1,18-20,22H,10-17H2,2-8H3/t18-,19-,20-,22-,24+,25-/m0/s1
InChIKey URTKJJQTAUQNBZ-FJZBUURQSA-N
Molecular Weight 402.694 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC([C@@]([C@]3(CC2)[H])(CCC#C)C)=O)[H])(CC[C@@]1(O[Si](C(C)(C)C)(C)C)[H])[H])C