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Alpha Cortolone-[d5]

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General Information
Catalog: BLP-003536
Molecular Formula: C21H29D5O5
Molecular Weight: 371.52

Chemical Structure

Description	An isotope labelled metabolite of Cortisol. Cortisol is a steroid hormone.
Synonyms	(1S,2S,5R,7R,10S,11S,14R,15S)-14-[(1S)-1,2-dihydroxy(2-D)ethyl]-5,14-dihydroxy-2,15-dimethyl(4,4,6,6-D4)tetracyclo[8.7.0.0,7.0]heptadecan-17-one; α-Cortolone-d5
IUPAC Name	(3R,5R,8S,9S,10S,13S,14S,17R)-2,2,4,4-tetradeuterio-17-[(1S)-2-deuterio-1,2-dihydroxyethyl]-3,17-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-one
Related CAS	516-42-7 (unlabelled)
Canonical SMILES	CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4(C(CO)O)O)C)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/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17+,18-,19+,20+,21+/m1/s1/i5D2,9D2,11D/t11?,12-,13-,14+,15+,17+,18-,19+,20+,21+
InChI Key	JXCOSKURGJMQSG-LGJQVAPUSA-N
Purity	95% by HPLC; 98% atom D