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11,17,21-Trihydroxy-pregn-5-ene-3,20-dione 3,20-Diethylene Ketal-[d4]

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General Information
Catalog: BLP-006265
CAS: 134354-11-3
Molecular Formula: C25H34D4O7
Molecular Weight: 454.59

Chemical Structure

Description	11,17,21-Trihydroxy-pregn-5-ene-3,20-dione 3,20-Diethylene Ketal-[d4] is the labelled analogue of 11,17,21-Trihydroxy-pregn-5-ene-3,20-dione 3,20-Diethylene Ketal, which is an intermediate in the preparation of Cortisol derivatives.
Synonyms	11,17,21-Trihydroxy-pregn-5-ene-3,20-dione-d4 Cyclic 3,20-Bis(1,2-ethanediyl Acetal); 11,17,21-Trihydroxy-pregn-5-ene-3,20-dione-d4 3,20-Diethylene Ketal; 3,3,20,20-bis-ethanediyldioxy-pregn-5-ene-11β,17,21-triol-d4; 20,20-Bis-aethandiyldioxy-pregn-5-en-11β,17,21-triol-d4
IUPAC Name	(8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-17-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]-10,13-dimethylspiro[1,2,4,7,8,14,15,16-octahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11,17-diol
Related CAS	76338-54-0 (unlabelled)
Canonical SMILES	CC12CCC3(CC1=CCC4C2C(CC5(C4CCC5(C6(OCCO6)CO)O)C)O)OCCO3
InChI	InChI=1S/C25H38O7/c1-21-7-8-23(29-9-10-30-23)13-16(21)3-4-17-18-5-6-24(28,25(15-26)31-11-12-32-25)22(18,2)14-19(27)20(17)21/h3,17-20,26-28H,4-15H2,1-2H3/t17-,18-,19-,20+,21-,22-,24+/m0/s1/i14D2,19D,20D
InChI Key	FPKBNDCCFKYHDT-HUTIETSVSA-N
Purity	≥98%
Solubility	Soluble in Chloroform, Methanol
Appearance	Light Yellow Foam