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.beta.-Estradiol 17-valerate, trimethylsilyl ether

View entire compound with spectra: 1 NMR

.beta.-Estradiol 17-valerate, trimethylsilyl ether
SpectraBase Compound ID JUE2LxP2Bf5
InChI InChI=1S/C26H40O3Si/c1-6-7-8-25(27)28-24-14-13-23-22-11-9-18-17-19(29-30(3,4)5)10-12-20(18)21(22)15-16-26(23,24)2/h10,12,17,21-24H,6-9,11,13-16H2,1-5H3
InChIKey JKTODRVSZMNCLD-UHFFFAOYSA-N
Mol Weight 428.7 g/mol
Molecular Formula C26H40O3Si
Exact Mass 428.274672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6b28V2HyUoV
Name .beta.-Estradiol 17-valerate, trimethylsilyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.274671680 u
Formula C26H40O3Si
InChI InChI=1S/C26H40O3Si/c1-6-7-8-25(27)28-24-14-13-23-22-11-9-18-17-19(29-30(3,4)5)10-12-20(18)21(22)15-16-26(23,24)2/h10,12,17,21-24H,6-9,11,13-16H2,1-5H3
InChIKey JKTODRVSZMNCLD-UHFFFAOYSA-N
Molecular Weight 428.688 g/mol
SMILES C12=CC=C(C=C2CCC2C1CCC1(C2CCC1OC(=O)CCCC)C)O[Si](C)(C)C