17a-Ethinylestradiol

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For Research Use Only | Not For Clinical Use
CATAPS57636C
CAS57-63-6
Structure
IUPAC Name(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Molecular Weight296.40
Molecular FormulaC20H24O2
Canonical SMILESC[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
InChIInChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
Accurate Mass296.1776
FormatNeat
ShippingRoom Temperature
Storage Conditions+20°C
SubcategoryPharmaceutical and veterinary compounds and metabolites, EU Methods
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