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21-(Tert.-butyldimethylsilyl)oxy-5.beta.-pregnane-3,11,20-trione
SpectraBase Compound ID 2J70yxCznfe
InChI InChI=1S/C27H44O4Si/c1-25(2,3)32(6,7)31-16-23(30)21-11-10-20-19-9-8-17-14-18(28)12-13-26(17,4)24(19)22(29)15-27(20,21)5/h17,19-21,24H,8-16H2,1-7H3
InChIKey ISBJNZBJOCBQRC-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C27H44O4Si
Exact Mass 460.300886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BjWoaZxb4Ip
Name 21-(Tert.-butyldimethylsilyl)oxy-5.beta.-pregnane-3,11,20-trione
Comments Computed using HOSE algorithm
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Exact Mass 460.300886428 u
Formula C27H44O4Si
InChI InChI=1S/C27H44O4Si/c1-25(2,3)32(6,7)31-16-23(30)21-11-10-20-19-9-8-17-14-18(28)12-13-26(17,4)24(19)22(29)15-27(20,21)5/h17,19-21,24H,8-16H2,1-7H3
InChIKey ISBJNZBJOCBQRC-UHFFFAOYSA-N
Molecular Weight 460.730 g/mol
SMILES C1(=O)C2C(C3C(C1)(C(C(=O)CO[Si](C)(C)C(C)(C)C)CC3)C)CCC1CC(=O)CCC21C