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17.alpha.-Hydroxypregnenolone, tms derivative

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17.alpha.-Hydroxypregnenolone, tms derivative
SpectraBase Compound ID AEe6jfISuUw
InChI InChI=1S/C24H40O3Si/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/h7,18-21,26H,8-15H2,1-6H3
InChIKey IGJCIUIUJJZVIS-UHFFFAOYSA-N
Mol Weight 404.7 g/mol
Molecular Formula C24H40O3Si
Exact Mass 404.274672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ItefCAbrh68
Name 17.alpha.-Hydroxypregnenolone, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 404.274671680 u
Formula C24H40O3Si
InChI InChI=1S/C24H40O3Si/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/h7,18-21,26H,8-15H2,1-6H3
InChIKey IGJCIUIUJJZVIS-UHFFFAOYSA-N
Molecular Weight 404.666 g/mol
SMILES C[Si](C)(C)OC1CC=2C(C3CCC4(C)C(C3CC2)CCC4(C(C)=O)O)(C)CC1