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Pregn-5-en-20-one, 3,21-bis[(trimethylsilyl)oxy]-, o-(phenylmethyl)oxime, (3.beta.)-
SpectraBase Compound ID KNRXJUfd2II
InChI InChI=1S/C34H55NO3Si2/c1-33-20-18-27(38-40(6,7)8)22-26(33)14-15-28-29-16-17-31(34(29,2)21-19-30(28)33)32(24-37-39(3,4)5)35-36-23-25-12-10-9-11-13-25/h9-14,27-31H,15-24H2,1-8H3/b35-32+
InChIKey YHLAZHQLXFZQFJ-LVYIWIAJSA-N
Mol Weight 582.0 g/mol
Molecular Formula C34H55NO3Si2
Exact Mass 581.372048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Zth96cXf5G
Name Pregn-5-en-20-one, 3,21-bis[(trimethylsilyl)oxy]-, o-(phenylmethyl)oxime, (3.beta.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 581.372047702 u
Formula C34H55NO3Si2
InChI InChI=1S/C34H55NO3Si2/c1-33-20-18-27(38-40(6,7)8)22-26(33)14-15-28-29-16-17-31(34(29,2)21-19-30(28)33)32(24-37-39(3,4)5)35-36-23-25-12-10-9-11-13-25/h9-14,27-31H,15-24H2,1-8H3/b35-32+
InChIKey YHLAZHQLXFZQFJ-LVYIWIAJSA-N
Molecular Weight 581.988 g/mol
SMILES C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)C(=CC3)C[C@](CC2)(O[Si](C)(C)C)[H])[H])[H])(CC[C@@]1(\C(=N\OCC1=CC=CC=C1)CO[Si](C)(C)C)[H])[H]