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Deacetylnorgestimate
[CAS# 53016-31-2]

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Identification
Name Deacetylnorgestimate
Synonyms (8R,9S,10R,13S,14S,17R)-13-Ethyl-17-Ethynyl-3-Hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Ol; (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 Oxime; Evra
Molecular Structure CAS#: 53016-31-2, Deacetylnorgestimate
Molecular Formula C21H29NO2
Molecular Weight 327.47
CAS Registry Number 53016-31-2
SMILES [C@]34([C@H]([C@H]2[C@@H]([C@@H]1C(=CC(=N/O)/CC1)CC2)CC3)CC[C@]4(C#C)O)CC
InChI 1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15+/t16-,17+,18+,19-,20-,21-/m0/s1
InChIKey ISHXLNHNDMZNMC-VTKCIJPMSA-N
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