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Allo-3α-tetrahydro Cortisol-[d6]

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General Information
Catalog: BLP-003262
Molecular Formula: C21H28D6O5
Molecular Weight: 372.53

Chemical Structure

Description	Allo-3α-tetrahydro Cortisol-[d6] is a labelled metabolite of Cortisol.
Synonyms	(3α,5α,11β)-3,11,17,21-Tetrahydroxypregnan-20-one-d6; 3α,11β,17,21-Tetrahydroxy-5α-pregnan-20-one-d6; 3α,5α-Tetrahydrocortisol-d6; 5α-Pregnane-3α,11β,17α,21-tetraol-20-one-d6; 5α-Tetrahydrocortisol-d6; AL 3308-d6; ATHF-d6; Allotetrahydrocortisol-d6; NSC 86469-d6; α-THF-d6; allo-Tetrahydrocortisol-d6 Hydrochloride
IUPAC Name	2,2-dideuterio-2-hydroxy-1-[(3R,5S,8S,10S,11S,13S,14S,17R)-2,2,4,4-tetradeuterio-3,11,17-trihydroxy-10,13-dimethyl-1,3,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Related CAS	302-91-0 (Unlabelled)
Canonical SMILES	CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)O
InChI	InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18?,19-,20-,21-/m0/s1/i5D2,9D2,11D2
InChI Key	AODPIQQILQLWGS-VTVXDEKLSA-N
Melting Point	186-194°C
Purity	> 98%
Solubility	Soluble in Ethanol (Slightly), Methanol (Slightly), Water (Very Slightly, Sonicated)
Appearance	White to Off-white Solid