Products 178737-52-5

CAS 178737-52-5 appears in our catalog under these names: Levonorgestrel Impurity 17, Norgestrel Impurity 1. Offered by: Chemat Brand. Available pack sizes: on request.

Levonorgestrel Impurity 17
Chemat Brand
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  • Variants: 1
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Norgestrel Impurity 1
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(8R,9S,10R,13S,14S,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one (CAS 178737-52-5) is a chemical compound with the molecular formula C21H28O2 and a molecular weight of 312.4 g/mol. IUPAC name: (8R,9S,10R,13S,14S,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one. InChIKey: WWYNJERNGUHSAO-ZUHHCLADSA-N.

Identity
Molecular formulaC21H28O2
Molecular weight312.4 g/mol
IUPAC name(8R,9S,10R,13S,14S,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
InChIKeyWWYNJERNGUHSAO-ZUHHCLADSA-N
SMILESCC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)O)CCC4=CC(=O)CC[C@H]34

Computed by PubChem (NCBI)

Synonyms: Epilevonorgestrel, Norgestrel (Standard), 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, rel-(17alpha)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one
Related forms of this compound
(8S,9R,10S,13R,14R,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8R,9S,10R,13S,14S,17R)-2,2,4,6,6,10-hexadeuterio-13-ethyl-17-ethynyl-17-hydroxy-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one C21H28O2
Isomers (same molecular formula)
(8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione C21H28O2
2,6-ditert-butyl-4-phenylmethoxyphenol C21H28O2
(8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione C21H28O2
(8S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8S,9S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8R,9S,10R,13R,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H28O2
(8R,9S,13S,14S)-13-methyl-3-propoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one C21H28O2