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17.beta.-Estradiol 17-propionate, tms derivative

View entire compound with spectra: 1 NMR

17.beta.-Estradiol 17-propionate, tms derivative
SpectraBase Compound ID 8ToWoAKRYAE
InChI InChI=1S/C24H36O3Si/c1-6-23(25)26-22-12-11-21-20-9-7-16-15-17(27-28(3,4)5)8-10-18(16)19(20)13-14-24(21,22)2/h8,10,15,19-22H,6-7,9,11-14H2,1-5H3
InChIKey GBVUUBFEIXNBEM-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C24H36O3Si
Exact Mass 400.243372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HrWYG3DrXIM
Name 17.beta.-Estradiol 17-propionate, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.243371551 u
Formula C24H36O3Si
InChI InChI=1S/C24H36O3Si/c1-6-23(25)26-22-12-11-21-20-9-7-16-15-17(27-28(3,4)5)8-10-18(16)19(20)13-14-24(21,22)2/h8,10,15,19-22H,6-7,9,11-14H2,1-5H3
InChIKey GBVUUBFEIXNBEM-UHFFFAOYSA-N
Molecular Weight 400.634 g/mol
SMILES C12=CC=C(C=C2CCC2C1CCC1(C2CCC1OC(=O)CC)C)O[Si](C)(C)C