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17a-Hydroxy Pregnenolone-[21,21,21-d3]

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General Information
Catalog: BLP-009160
CAS: 105078-92-0
Molecular Formula: C21H29D3O3
Molecular Weight: 335.50

Chemical Structure

Description	Labelled 17α-Hydroxypregnenolone. 17α-Hydroxypregnenolone is a metabolite of pregnenolone and a precursor in the biosynthesis of dehydroepiandrosterone. It also is formed from pregnenolone by cytochrome P450 (CYP) isoform CYP17A1 hydroxylase and then converted to dehydroepiandrosterone by CYP17A1-mediated 17,20-lyase.
Synonyms	17a-Hydroxypregnenolone-21,21,21-d3; 17a-Hydroxypregnenolone-d3; 17-Hydroxy Pregnenolone-d3
IUPAC Name	2,2,2-trideuterio-1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Related CAS	387-79-1 (unlabelled)
Canonical SMILES	CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O
InChI	InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1/i1D3
InChI Key	JERGUCIJOXJXHF-DBAXYKBZSA-N
Melting Point	264-267°C
Purity	≥98%; ≥97% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at -20°C