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Norgestrel-[d6]

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General Information
Catalog: BLP-003581
CAS: 6533-00-2
Molecular Formula: C21H22D6O2
Molecular Weight: 318.49

Chemical Structure

Description	Norgestrel-[d6], is the labelled analogue of Norgestrel. Norgestrel is a progestin that is used in combination with an estrogen in hormonal contraceptives.
Synonyms	Norgestrel-d6
IUPAC Name	(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
Related CAS	6533-00-2 (unlabelled)
Canonical SMILES	CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
InChI	InChI=1S/C21H28O2/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/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1/i5D2,6D2,13D,16D
InChI Key	WWYNJERNGUHSAO-PWFLSJGKSA-N
Melting Point	207-211 °C
Purity	95% by HPLC; 95% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at-20°C