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17-β-Dihydro Equilin-[16,16,17-d3]

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General Information
Catalog: BLP-010220
CAS: 350820-03-0
Molecular Formula: C18H19D3O2
Molecular Weight: 273.38

Chemical Structure

Description	17-β-Dihydro Equilin-[16,16,17-d3] is a labelled metabolite of Equilin. Equilin is one of the estrogens present in the mixture of estrogens isolated from horse urine and marketed as Premarin.
Synonyms	(17β)-Estra-1,3,5(10),7-tetraene-3,17-diol-d3
IUPAC Name	(9S,13S,14S,17S)-16,16,17-trideuterio-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthrene-3,17-diol
Related CAS	3563-27-7 (unlabelled)
Canonical SMILES	CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2O
InChI	InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1/i7D2,17D
InChI Key	NLLMJANWPUQQTA-XPOHSFSVSA-N
Melting Point	173-175°C (lit.)
Purity	98% atom D
Solubility	Soluble in Chloroform (Slightly, Heated), Methanol (Slightly)
Appearance	Light Brown to Beige Solid
Application	A labelled metabolite of Equilin (E592800).
Storage	Store at -20°C