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4-METHOXY-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL-(3,17.BETA.-DI-ACETATE)
SpectraBase Compound ID IbemDxUPbxs
InChI InChI=1S/C23H30O5/c1-13(24)27-20-9-7-15-16-11-12-23(3)19(8-10-21(23)28-14(2)25)17(16)5-6-18(15)22(20)26-4/h7,9,16-17,19,21H,5-6,8,10-12H2,1-4H3/t16-,17-,19+,21+,23+/m1/s1
InChIKey ZMQRFFYIFZWFRE-RHDNAEHESA-N
Mol Weight 386.49 g/mol
Molecular Formula C23H30O5
Exact Mass 386.209324 g/mol
Enantiomer InChIKey ZMQRFFYIFZWFRE-LMTTXPHMSA-N
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Source of Spectrum Dr. Makin, London Hospital Medical College, UK
  • (8R,9S,13S,14S,17S)-4-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl diacetate
  • 17-(ACETYLOXY)-4-METHOXYESTRA-1(10),2,4-TRIEN-3-YL ACETATE

This compound is available in the following databases:

Mass Spectra of Physiologically Active Substances - including drugs, steroid hormones,and endocrine disruptors 2011

Author: Parr, Maria Kristina; Opfermann, Georg; Schänzer, Wilhelm; Makin, Hugh L. J.

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