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Equilenin-[4,16,16-d3]

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General Information
Catalog: BLP-010801
CAS: 56588-54-6
Molecular Formula: C18H15D3O2
Molecular Weight: 269.35

Chemical Structure

Description	Equilenin-[4,16,16-d3] is the labelled analogue of Equilenin, which is an estrogenic steroid hormone obtained from the urine of pregnant mares.
Synonyms	Equilenin D3; 3-Hydroxyestra-1,3,5,7,9-pentaen-17-one-d3; (+)-Equilenin-d3; 3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one-d3; Equilenine-d3; NSC 9901-d3; d-Equilenin-d3; Estra-1,3,5,7,9-pentaen-17-one-4,16,16-d3, 3-hydroxy-
IUPAC Name	(13S,14S)-4,16,16-trideuterio-3-hydroxy-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-17-one
Related CAS	517-09-9 (unlabelled)
Isomeric SMILES	[2H]C1=C(C=CC2=C1C=CC3=C2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)O
Canonical SMILES	CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)O
InChI	InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1/i7D2,10D
InChI Key	PDRGHUMCVRDZLQ-POWJHRNTSA-N
Purity	≥95%; ≥97% atom D
Solubility	Slightly soluble in DMSO, Methanol (Heated)
Appearance	Light Beige Solid
Storage	Store at 2-8°C