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17α-Hydroxypregnenolone-[20,21-13C2,16,16-d2]

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General Information
Catalog: BLP-005593
CAS: 2483824-29-7
Molecular Formula: C19[13C]2H30D2O3
Molecular Weight: 336.47

Chemical Structure

Description	17α-Hydroxypregnenolone-20,21-[13C2],16,16-[d2] is intended for use as an internal standard for 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	17α-Hydroxypregnenolone-13C2,d2; (3β)-3,17-dihydroxypregn-5-en-20-one-13C2,d2; 17-Hydroxy-Δ5-pregnenolone-13C2,d2; 3β,17α-Dihydroxypregn-5-en-20-one-13C2,d2; 5-Pregnen-3β,17α-diol-20-one-13C2,d2; NSC 63853-13C2,d2; 17alpha-Hydroxypregnenolone-20,21-13C2,16,16-D2
IUPAC Name	1-((3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl-16,16-d2)ethan-1-one-1,2-13C2
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/i1+1,11D2,13+1
InChI Key	JERGUCIJOXJXHF-AQOZABEKSA-N
Purity	≥98% by CP; ≥98% atom D; ≥98% atom 13C
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly, Heated, Sonicated)
Appearance	Solid
Storage	Store at 2-8°C