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21-(Trimethylsilyl)oxy-5.beta.-pregnane-3,11,20-trione

View entire compound with spectra: 1 NMR

21-(Trimethylsilyl)oxy-5.beta.-pregnane-3,11,20-trione
SpectraBase Compound ID 9J89ULMIFVK
InChI InChI=1S/C24H38O4Si/c1-23-11-10-16(25)12-15(23)6-7-17-18-8-9-19(21(27)14-28-29(3,4)5)24(18,2)13-20(26)22(17)23/h15,17-19,22H,6-14H2,1-5H3
InChIKey WTHXVNTVPXRFAF-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C24H38O4Si
Exact Mass 418.253936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26DSfUNDpi4
Name 21-(Trimethylsilyl)oxy-5.beta.-pregnane-3,11,20-trione
Comments Computed using HOSE algorithm
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Exact Mass 418.253936235 u
Formula C24H38O4Si
InChI InChI=1S/C24H38O4Si/c1-23-11-10-16(25)12-15(23)6-7-17-18-8-9-19(21(27)14-28-29(3,4)5)24(18,2)13-20(26)22(17)23/h15,17-19,22H,6-14H2,1-5H3
InChIKey WTHXVNTVPXRFAF-UHFFFAOYSA-N
Molecular Weight 418.649 g/mol
SMILES C1(=O)C2C(C3C(C1)(C(C(=O)CO[Si](C)(C)C)CC3)C)CCC1CC(=O)CCC21C