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6α-Methyl-Cortisol-[d4]

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General Information
Catalog: BLP-003112
Molecular Formula: C22H28D4O5
Molecular Weight: 380.51

Chemical Structure

Description	Labelled 6α-Methyl-Cortisol. An impurity of Methylprednisolone. Methylprednisolone is a corticosteroid medication used to suppress the immune system and decrease inflammation.
Synonyms	(6α,11β)-11,17,21-Trihydroxy-6-methylpregn-4-ene-3,20-dione-d4; 17-Hydroxy-6α-methylcorticosterone-d4; 6α-Methyl-11β,17α,21-trihydroxy-4-pregnene-3,20-dione-d4; 6α-Methyl Hydrocortisone-d4
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-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Related CAS	1625-39-4 (unlabelled)
Canonical SMILES	CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)(C(=O)CO)O
InChI	InChI=1S/C22H32O5/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/h9,12,14-15,17,19,23,25,27H,4-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1/i10D2,17D,19D
InChI Key	FQWLSWNUHFREIQ-KSASKHGMSA-N