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(8R,9S,10R,13S,14S,17R,E)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one oxime

Catalog No. :
ACYPAJ745
CAS No. :
53016-31-2
Molecular Formula :
C21H29NO2
Molecular Weight :
327.47

IUPAC Name:(8R,9S,10R,13S,14S,17R,E)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one oxime

(8R,9S,10R,13S,14S,17R,E)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one oxime structure diagram
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Product Name(8R,9S,10R,13S,14S,17R,E)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one oxime
IUPAC Name(8R,9S,10R,13S,14S,17R,E)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one oxime
Molecular FormulaC21H29NO2
Molecular Weight327.47
SMILESC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC
InChI KeyISHXLNHNDMZNMC-VTKCIJPMSA-N
Synonym(17α)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one OxiMe;(17α)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one-d6 OxiMe;(-)-NorelgestroMin-d6;(17alpha)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one oxime;(E)- and (Z)-17-Deacetylnorgestimate mixture;Norgestimate metabolite Norelgestromin;17-Desacetyl Norgestimate ((E)- AND (Z)-17-DEACETYL NORGESTIMATE MIXTURE);Deacetylnorgestimate (Mixture of (E)- And (Z)-17-Deacetyl Norgestimate)
CAS No.53016-31-2

Synthetic Route by SureRoute

1. ACYPAJ745 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  3. reactant_2 route compound structure diagram
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  5. ACYPAJ745 route product structure diagram
    ACYPAJ74553016-31-2
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2. ACYPAJ745 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Then
  3. ACYPAJ745 route product structure diagram
    ACYPAJ74553016-31-2
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