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Gestodene

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For Research Use Only | Not For Clinical Use
CATAPS60282873
CAS60282-87-3
Structure
Synonyms13-Ethyl-17-hydroxy-18,19-dinor-17a-pregna-4,15-dien-20-yn-3-one, Gestinol, 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17alpha)-, SHB 331,Gestodene, WL 70
IUPAC Name(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
Molecular Weight310.43
Molecular FormulaC21H26O2
Canonical SMILESCC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C
InChIInChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
Accurate Mass310.1933
FormatNeat
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