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17α-(Acetoxy-1-[13C],2,2,2-[d3])-6-methyl-4,6-pregnadiene-3,20-dione

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General Information
Catalog: BLP-005592
Molecular Formula: [13C]C23H29D3O4
Molecular Weight: 388.52

Chemical Structure

Description	17α-(Acetoxy-1-13C,2,2,2-[d3])-6-methyl-4,6-pregnadiene-3,20-dione is intended for use as an internal standard for megestrol Acetate. Megestrol Acetate is a synthetic progesteronal agent with an IC50 of 260 μM for the inhibition of HepG2. Medroxyprogesterone acetate is a manufactured hormone of the progestin type.
Synonyms	Magestrol acetate-1-13C,2,2,2-d3
Related CAS	595-33-5 (unlabelled)
Canonical SMILES	CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
InChI	InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1/i3D3,16+1
InChI Key	RQZAXGRLVPAYTJ-KZUQRROGSA-N
Purity	≥98% by CP; 99% atom 13C
Appearance	Solid