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3,17-Dihydroxypregnan-20-one, (3.alpha.,5.beta.,17.alpha.)-, tms derivative

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3,17-Dihydroxypregnan-20-one, (3.alpha.,5.beta.,17.alpha.)-, tms derivative
SpectraBase Compound ID 2mPNr4UJeBd
InChI InChI=1S/C24H42O3Si/c1-16(25)24(26)14-11-21-19-8-7-17-15-18(27-28(4,5)6)9-12-22(17,2)20(19)10-13-23(21,24)3/h17-21,26H,7-15H2,1-6H3/t17-,18-,19-,20+,21+,22+,23+,24+/m1/s1
InChIKey NNTORTOYVGRZCZ-JXLLUABZSA-N
Mol Weight 406.7 g/mol
Molecular Formula C24H42O3Si
Exact Mass 406.290322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxiFoqqJMkC
Name 3,17-Dihydroxypregnan-20-one, (3.alpha.,5.beta.,17.alpha.)-, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.290321744 u
Formula C24H42O3Si
InChI InChI=1S/C24H42O3Si/c1-16(25)24(26)14-11-21-19-8-7-17-15-18(27-28(4,5)6)9-12-22(17,2)20(19)10-13-23(21,24)3/h17-21,26H,7-15H2,1-6H3/t17-,18-,19-,20+,21+,22+,23+,24+/m1/s1
InChIKey NNTORTOYVGRZCZ-JXLLUABZSA-N
Molecular Weight 406.682 g/mol
SMILES [C@@]1(CC[C@]2([C@@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@]2(O)C(C)=O)[H])C)[H])[H])[H])C)(O[Si](C)(C)C)[H]