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β-Cortol-[d5]

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General Information
Catalog: BLP-008201
Molecular Formula: C21H31D5O5
Molecular Weight: 373.54

Chemical Structure

Description	An isotope labelled derivative of Cortisone. Cortisone is a pregnane steroid hormone as an anti-inflammatory agent.
IUPAC Name	(3R,5R,8S,9S,10S,11S,13S,14S,17R)-2,2,4,4-tetradeuterio-17-[(1S)-2-deuterio-1,2-dihydroxyethyl]-10,13-dimethyl-1,3,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11,17-triol
Related CAS	516-38-1 (unlabelled)
Canonical SMILES	CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(CO)O)O)C)O)O
InChI	InChI=1S/C21H36O5/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/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1/i5D2,9D2,11D/t11?,12-,13-,14+,15+,16+,17+,18-,19+,20+,21+
InChI Key	FFPUNPBUZDTHJI-OGQIPIDPSA-N
Purity	95% by HPLC; 98% atom D