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6-α-Methyl-Prednisolone-[d4]

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General Information
Catalog: BLP-003523
Molecular Formula: C22H26D4O5
Molecular Weight: 378.51

Chemical Structure

Description	An isotope labelled derivative of Prednisolone. Prednisolone is a glucocorticoid and an anti-inflammatory drug used to treat central nervous system disorders.
IUPAC Name	(6S,8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,14,15,16-hexahydrocyclopenta[a]phenanthren-3-one
Related CAS	83-43-2 (unlabelled)
Canonical SMILES	CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O
InChI	InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1/i10D2,17D,19D
InChI Key	VHRSUDSXCMQTMA-KSASKHGMSA-N
Purity	95% by HPLC; 98% atom D