John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9IStSG4AuZr

(accessed ).
3-METHOXY-17-ALPHA-[3'-(4''-CHLORO)-PHENYL-ISOXAZOL-5'-YL]-ESTRA-1,3,5(10),16-TETRAENE
SpectraBase Compound ID 9IStSG4AuZr
InChI InChI=1S/C28H28ClNO2/c1-28-14-13-22-21-10-8-20(31-2)15-18(21)5-9-23(22)24(28)11-12-25(28)27-16-26(30-32-27)17-3-6-19(29)7-4-17/h3-4,6-8,10,12,15-16,22-24H,5,9,11,13-14H2,1-2H3/t22-,23-,24+,28+/m1/s1
InChIKey CYYVGINFHZVVPQ-DFIMXKNXSA-N
Mol Weight 445.99 g/mol
Molecular Formula C28H28ClNO2
Exact Mass 445.180857 g/mol
Enantiomer InChIKey CYYVGINFHZVVPQ-FLSMRUOLSA-N
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