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6-Methyleneandrost-4-ene-3,17-dione-[d3]

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General Information
Catalog: BLP-007857
Molecular Formula: C20H23D3O2
Molecular Weight: 301.44

Chemical Structure

Description	6-Methyleneandrost-4-ene-3,17-dione-[d3] is the labelled analogue of 6-Methyleneandrost-4-ene-3,17-dione, which is a metabolite of Exemestane. Exemestane is a third generation, irreversible steroidal aromatase inhibitor.
Synonyms	6-Methyleneandrost-4-ene-3,17-dione-19-d3; Exemestane Related Compound A-D3; 1,2-Dihydro Exemestane-d3
IUPAC Name	(8R,9S,10R,13S,14S)-13-methyl-6-methylidene-10-(trideuteriomethyl)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Related CAS	19457-55-7 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CCC2=O)CC(=C)C4=CC(=O)CCC34C
InChI	InChI=1S/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1/i2D3
InChI Key	KQRGETZTRARSMA-OAXLLPIKSA-N
Melting Point	149-152°C
Purity	98%
Solubility	Soluble in Chloroform
Appearance	Off-white to Dark Yellow Solid
Storage	Store at 2-8°C