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17-Desacetyl Norgestimate-[d6]

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General Information
Catalog: BLP-012907
CAS: 1263184-13-9
Molecular Formula: C21H23D6NO2
Molecular Weight: 333.51

Chemical Structure

Description	17-Desacetyl Norgestimate-[d6] is the labelled analogue of 17-Desacetyl Norgestimate, which is a metabolite of Norgestimate.
Synonyms	17-Desacetyl Norgestimate-d6; (17α)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one-d6 Oxime; 17-Deacetylnorgestimate-d6; 18-Methylnorethindrone-d6 Oxime; D-Norgestrel-d6 3-Oxime; Levonorgestrel-d6 3-Oxime; RWJ 10553-d6; Norelgestromin-d6
IUPAC Name	(3E,8R,9S,10R,13S,14S,17R)-2,2,4,6,6,10-hexadeuterio-13-ethyl-17-ethynyl-3-hydroxyimino-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-ol
Related CAS	53016-31-2 (unlabelled)
Canonical SMILES	CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NO)CCC34
InChI	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/i5D2,6D2,13D,16D
InChI Key	ISHXLNHNDMZNMC-LLWUDOGESA-N
Melting Point	182-186°C (dec.)
Purity	≥96% by HPLC; ≥98% atom D
Solubility	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance	Off-White Solid
Storage	Store at -20°C