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3-Methoxy-6,17-bis[(trimethylsilyl)oxy]estra-1(10),2,4-triene
SpectraBase Compound ID AcWkaI0vtmS
InChI InChI=1S/C25H42O3Si2/c1-25-14-13-19-18-10-9-17(26-2)15-21(18)23(27-29(3,4)5)16-20(19)22(25)11-12-24(25)28-30(6,7)8/h9-10,15,19-20,22-24H,11-14,16H2,1-8H3
InChIKey RKJDGIANLZUANV-UHFFFAOYSA-N
Mol Weight 446.8 g/mol
Molecular Formula C25H42O3Si2
Exact Mass 446.267248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2stU5uj7L9B
Name 3-Methoxy-6,17-bis[(trimethylsilyl)oxy]estra-1(10),2,4-triene
Comments Computed using HOSE algorithm
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Exact Mass 446.267248279 u
Formula C25H42O3Si2
InChI InChI=1S/C25H42O3Si2/c1-25-14-13-19-18-10-9-17(26-2)15-21(18)23(27-29(3,4)5)16-20(19)22(25)11-12-24(25)28-30(6,7)8/h9-10,15,19-20,22-24H,11-14,16H2,1-8H3
InChIKey RKJDGIANLZUANV-UHFFFAOYSA-N
Molecular Weight 446.778 g/mol
SMILES CC12CCC3C=4C=CC(=CC4C(CC3C2CCC1O[Si](C)(C)C)O[Si](C)(C)C)OC