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4-androstene-6b,17b-diol-3-one-[16,16,17-d3]

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General Information
Catalog: BLP-007115
CAS: 638163-38-9
Molecular Formula: C19H25D3O3
Molecular Weight: 307.44

Chemical Structure

Synonyms	4-androstene-6b,17b-diol-3-one-16,16,17-D3
IUPAC Name	(6R,8R,9S,10R,13S,14S,17S)-16,16,17-trideuterio-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Related CAS	62-99-7 (unlabelled)
Isomeric SMILES	[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])C[C@H](C4=CC(=O)CC[C@]34C)O)C)O
Canonical SMILES	CC12CCC3C(C1CCC2O)CC(C4=CC(=O)CCC34C)O
InChI	InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1/i4D2,17D
InChI Key	XSEGWEUVSZRCBC-SAPYDMBASA-N
Boiling Point	479.8±45.0°C at 760 mmHg
Melting Point	172-175ºC
Purity	98% by CP; 98% atom D
Density	1.2±0.1 g/cm3
Appearance	White Solid
Application	A metabolite of Testosterone (T155000). A representavive lot was 91% d3, 9% d2 with no d0. CONTROLLED SUBSTANCE
Storage	Store at -20°C