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21-Hydroxyprogesterone, tbdms derivative

View entire compound with spectra: 1 NMR

21-Hydroxyprogesterone, tbdms derivative
SpectraBase Compound ID FhkRHXTi8H6
InChI InChI=1S/C27H44O3Si/c1-25(2,3)31(6,7)30-17-24(29)23-11-10-21-20-9-8-18-16-19(28)12-14-26(18,4)22(20)13-15-27(21,23)5/h16,20-23H,8-15,17H2,1-7H3
InChIKey XFKHARHPUCVJDK-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C27H44O3Si
Exact Mass 444.305972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JMg3h6Bnac
Name 21-Hydroxyprogesterone, tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 444.305971809 u
Formula C27H44O3Si
InChI InChI=1S/C27H44O3Si/c1-25(2,3)31(6,7)30-17-24(29)23-11-10-21-20-9-8-18-16-19(28)12-14-26(18,4)22(20)13-15-27(21,23)5/h16,20-23H,8-15,17H2,1-7H3
InChIKey XFKHARHPUCVJDK-UHFFFAOYSA-N
Molecular Weight 444.731 g/mol
SMILES C12(C(C3C(C4(C(=CC(CC4)=O)CC3)C)CC1)CCC2C(=O)CO[Si](C(C)(C)C)(C)C)C