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17-Desacetyl Norgestimate-3-acetate-[2,2,4,6,6,10-d6]

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17-Desacetyl Norgestimate-3-acetate-[2,2,4,6,6,10-d6]

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General Information
Catalog: BLP-012908
Molecular Formula: C23H25D6NO3
Molecular Weight: 375.54

Chemical Structure

Description	17-Desacetyl Norgestimate-3-acetate-[2,2,4,6,6,10-d6] is the labelled analogue of 17-Desacetyl Norgestimate-3-acetate, which is an impurity of Norgestimate. Norgestimate is a form of progesterone used with estradiol to treat the symptoms of menopause.
Synonyms	17-Desacetyl Norgestimate-3-acetate-2,2,4,6,6,10-D6; 17-Desacetyl Norgestimate-3-acetate-D6
IUPAC Name	[(Z)-[(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-ylidene]amino] acetate
Canonical SMILES	CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NOC(=O)C)CCC34
InChI	InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-27-15(3)25)14-16(18)6-8-20(19)21(22)11-13-23(22,26)5-2/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17-/t18-,19+,20+,21-,22-,23-/m0/s1/i6D2,7D2,14D,18D
InChI Key	JSPMVXQBDVFHST-QCAXSGJKSA-N
Purity	≥97% by HPLC; >98% atom D
Appearance	White Solid