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Cortisol-[9,11,12,12-d4]

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General Information
Catalog: BLP-009201
CAS: 73565-87-4
Molecular Formula: C21H26D4O5
Molecular Weight: 366.48

Chemical Structure

Description	Cortisol-[9,11,12,12-d4], is the labelled analogue of Cortisol. Cortisol is a steroid hormone, in the glucocorticoid class of hormones. When used as a medication, it is known as hydrocortisone.
Synonyms	11β,17α,21-Trihydroxypregn-4-ene-3,20-dione-D4; 11β,17α,21-Trihydroxypregn-4-ene-3,20-dione-d4 (9,11,12,12-d4); 17-Hydroxycorticosterone-9,11,12,12-d4; 17-Hydroxycorticosterone-D4; 4-Pregnene-11β,17α,21-triol-3,20-dione-D4; 4-Pregnene-11β,17α,21-triol-3,20-dione-d4 (9,11,12,12-d4); Kendall's compound F (9,11,12,12-d4); Hydrocortisone-9,11,12,12-d4
IUPAC Name	(8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Related CAS	50-23-7 (unlabelled)
Isomeric SMILES	[2H][C@@]1(C([C@]2(C(CCC2(C(=O)CO)O)[C@H]3C1([C@]4(CCC(=O)C=C4CC3)C)[2H])C)([2H])[2H])O
Canonical SMILES	CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
InChI	InChI=1S/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1/i10D2,16D,18D
InChI Key	JYGXADMDTFJGBT-BJJKTIQHSA-N
Melting Point	211-214°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Ethanol (Slightly, Heated), Methanol (Slightly, Heated), Water
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C