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3.alpha.,21-bis[(Tert.-butyldimethylsilyl)oxy]-5.beta.-pregnane-11,20-dione

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3.alpha.,21-bis[(Tert.-butyldimethylsilyl)oxy]-5.beta.-pregnane-11,20-dione
SpectraBase Compound ID C6Y11aoM0yh
InChI InChI=1S/C33H60O4Si2/c1-30(2,3)38(9,10)36-21-28(35)26-16-15-25-24-14-13-22-19-23(37-39(11,12)31(4,5)6)17-18-32(22,7)29(24)27(34)20-33(25,26)8/h22-26,29H,13-21H2,1-12H3
InChIKey HIONAKAONBVTGP-UHFFFAOYSA-N
Mol Weight 577.0 g/mol
Molecular Formula C33H60O4Si2
Exact Mass 576.403013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nNOtEiPP3R
Name 3.alpha.,21-bis[(Tert.-butyldimethylsilyl)oxy]-5.beta.-pregnane-11,20-dione
Comments Computed using HOSE algorithm
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Exact Mass 576.403013478 u
Formula C33H60O4Si2
InChI InChI=1S/C33H60O4Si2/c1-30(2,3)38(9,10)36-21-28(35)26-16-15-25-24-14-13-22-19-23(37-39(11,12)31(4,5)6)17-18-32(22,7)29(24)27(34)20-33(25,26)8/h22-26,29H,13-21H2,1-12H3
InChIKey HIONAKAONBVTGP-UHFFFAOYSA-N
Molecular Weight 577.009 g/mol
SMILES C1(=O)C2C(C3C(C1)(C(C(=O)CO[Si](C)(C)C(C)(C)C)CC3)C)CCC1CC(O[Si](C)(C)C(C)(C)C)CCC21C