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17.beta,-(3-Methoxy-1,3,5-oestratrienyl) 2-(diethylphosphono)acetate
SpectraBase Compound ID AVPbwZvc5BL
InChI InChI=1S/C25H37O6P/c1-5-29-32(27,30-6-2)16-24(26)31-23-12-11-22-21-9-7-17-15-18(28-4)8-10-19(17)20(21)13-14-25(22,23)3/h7-8,10,15,19-23H,5-6,9,11-14,16H2,1-4H3/t19?,20?,21?,22?,23?,25-/m0/s1
InChIKey XKDKXGBIYKJBRJ-DYUCZUMCSA-N
Mol Weight 464.5 g/mol
Molecular Formula C25H37O6P
Exact Mass 464.232776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKempkQWbGC
Name 17.beta,-(3-Methoxy-1,3,5-oestratrienyl) 2-(diethylphosphono)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37O6P
InChI InChI=1S/C25H37O6P/c1-5-29-32(27,30-6-2)16-24(26)31-23-12-11-22-21-9-7-17-15-18(28-4)8-10-19(17)20(21)13-14-25(22,23)3/h7-8,10,15,19-23H,5-6,9,11-14,16H2,1-4H3/t19?,20?,21?,22?,23?,25-/m0/s1
InChIKey XKDKXGBIYKJBRJ-DYUCZUMCSA-N
Molecular Weight 464.539 g/mol
SMILES [C@@]12(C(C3CC=C4C(C3CC2)C=CC(=C4)OC)CCC1OC(CP(=O)(OCC)OCC)=O)C
SPLASH splash10-03fr-0910600000-f9d01c325cdd3e98ecd3
Source of Spectrum KC-57-1841-5
Synonyms 3-Methoxyestra-1,3,5-trien-17-yl (diethoxyphosphoryl)acetate
Wiley ID 1623160