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Estra-1,3,5(10)-trien-17-one, 3-[(dimethylphosphinyl)oxy]-
SpectraBase Compound ID AjxfD3O1XTU
InChI InChI=1S/C20H27O3P/c1-20-11-10-16-15-7-5-14(23-24(2,3)22)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7,12,16-18H,4,6,8-11H2,1-3H3/t16-,17-,18+,20+/m1/s1
InChIKey MFEPCVGOZUDAMI-XSYGEPLQSA-N
Mol Weight 346.41 g/mol
Molecular Formula C20H27O3P
Exact Mass 346.169782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fq41zMceyDs
Name Estra-1,3,5(10)-trien-17-one, 3-[(dimethylphosphinyl)oxy]-
Alternate Name(s) 17-oxoestra-1,3,5(10)-trien-3-yl dimethylphosphinate Estrone dimethylphosphinate ester Estrone dimethylphosphinic ester
CAS Registry Number 51759-75-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27O3P
InChI InChI=1S/C20H27O3P/c1-20-11-10-16-15-7-5-14(23-24(2,3)22)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7,12,16-18H,4,6,8-11H2,1-3H3/t16-,17-,18+,20+/m1/s1
InChIKey MFEPCVGOZUDAMI-XSYGEPLQSA-N
Molecular Weight 346.407 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OP(=O)(C)C)c4)[H])(CCC1=O)[H])C
SPLASH splash10-0002-5589000000-814ea5152eae330f2a4a
Source of Spectrum KO-3-65-1
Wiley ID 1339401