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17.beta.-Estradiol, tbdms derivative

View entire compound with spectra: 1 NMR

17.beta.-Estradiol, tbdms derivative
SpectraBase Compound ID UUzzfxlvYG
InChI InChI=1S/C24H38O2Si/c1-23(2,3)27(5,6)26-17-8-10-18-16(15-17)7-9-20-19(18)13-14-24(4)21(20)11-12-22(24)25/h8,10,15,19-22,25H,7,9,11-14H2,1-6H3
InChIKey QPOSLUJQXMVNGD-UHFFFAOYSA-N
Mol Weight 386.7 g/mol
Molecular Formula C24H38O2Si
Exact Mass 386.264107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ad0Vlula2fv
Name 17.beta.-Estradiol, tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 386.264106997 u
Formula C24H38O2Si
InChI InChI=1S/C24H38O2Si/c1-23(2,3)27(5,6)26-17-8-10-18-16(15-17)7-9-20-19(18)13-14-24(4)21(20)11-12-22(24)25/h8,10,15,19-22,25H,7,9,11-14H2,1-6H3
InChIKey QPOSLUJQXMVNGD-UHFFFAOYSA-N
Molecular Weight 386.651 g/mol
SMILES C12(C(C3CCC4=C(C3CC1)C=CC(=C4)O[Si](C(C)(C)C)(C)C)CCC2O)C