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Equilin-[2,4,16,16-d4]

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General Information
Catalog: BLP-011636
CAS: 285979-79-5
Molecular Formula: C18H16D4O2
Molecular Weight: 272.38

Chemical Structure

Description	Equilin-[2,4,16,16-d4] is the labelled analogue of Equilin, which is one of the estrogens present in the mixture of estrogens isolated from horse urine and marketed as Premarin.
Synonyms	Equilin-2,4,16,16-d4; 1,3,5,7-Estratetraen-3-ol-17-one-d4; 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one-d4; 7-Dehydroestrone-d4; NSC 10971-d4; Equilin-d4
IUPAC Name	(9S,13S,14S)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-17-one
Related CAS	474-86-2 (unlabelled)
Canonical SMILES	CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O
InChI	InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1/i3D,7D2,10D
InChI Key	WKRLQDKEXYKHJB-DLIXUXMWSA-N
Melting Point	238-240°C
Purity	>95%; 98% atom D
Solubility	Soluble in Dioxane (Slightly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated)
Appearance	White Solid
Storage	Store at 2-8°C