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5β-Pregnan-3a,21-diol-20-one-[17a,21,21-d3]

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General Information
Catalog: BLP-010639
CAS: 72205-58-4
Molecular Formula: C21H31D3O3
Molecular Weight: 337.52

Chemical Structure

Description	5β-Pregnan-3a,21-diol-20-one-[17a,21,21-d3] is the labelled analogue of 5β-Pregnan-3a,21-diol-20-one, which is a metabolite of 11-Deoxycorticosterone (DOC).
Synonyms	5β-Pregnan-3a,21-diol-20-one-17a,21,21-D3; 5beta-Pregnan-3alpha,21-Diol-20-One-17alpha,21,21-D3; (3α,5β)-3,21-Dihydroxypregnan-20-one-d3; α,21-Dihydroxy-5β-pregnan-20-one-d3; Deoxytetrahydrocorticosterone-d3; 21-Hydroxypregnanolone-d3; 3α,5β-Tetrahydrodeoxycorticosterone-d3; Tetrahydrodeoxycorticosterone-d3; Tetrahydro 11-Deoxycorticosterone-d3
IUPAC Name	2,2-dideuterio-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-17-deuterio-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
Related CAS	567-03-3 (unlabelled)
Canonical SMILES	CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O
InChI	InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1/i12D2,18D
InChI Key	CYKYBWRSLLXBOW-DHUHUZQJSA-N
Purity	≥97% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White Solid
Storage	Store at 2-8°C