516-47-2

Basic information

• Product Name: Pregnan-20-one, 3,17,21-trihydroxy-, (3.beta.,5.alpha.)-
• Synonyms: Pregnan-20-one, 3,17,21-trihydroxy-, (3.beta.,5.alpha.)-;1-[(17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,1 6-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethanone;Allopregnane-3B,17ALPHA,21-triol-20-one;allopregnane-3beta,17alpha,21-triol-20-one;Allopregnane-3β,17α,21-triol-20-one;3beta,17alpha,21-Trihydroxy-5alpha-pregnan-20-one;5-alpha-Pregnan-20-one, 3-beta,17,21-trihydroxy- (8ci);Pregnan-20-one, 3,17,21-trihydroxy-, (3-beta,5-alpha)- (9ci)
• CAS NO: 516-47-2
• Molecular Formula: C₂₁H₃₄O₄
• Molecular Weight: 350.49
• Mol File: 516-47-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 505.1°Cat760mmHg
• Flash Point: 273.4°C
• Appearance: /
• Density: 1.186g/cm³
• Vapor Pressure: 2.55E-12mmHg at 25°C
• Refractive Index: 1.56
• CAS DataBase Reference: Pregnan-20-one, 3,17,21-trihydroxy-, (3.beta.,5.alpha.)-(CAS DataBase Reference)
• NIST Chemistry Reference: Pregnan-20-one, 3,17,21-trihydroxy-, (3.beta.,5.alpha.)-(516-47-2)
• EPA Substance Registry System: Pregnan-20-one, 3,17,21-trihydroxy-, (3.beta.,5.alpha.)-(516-47-2)

Safety Data

• Hazardous Substances Data: 516-47-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13?,14?,15?,16?,17?,19?,20?,21-/m0/s1

Upstream product

• 152-58-9 Cortexolone 
• 11024-24-1 digitonin 
• 10291-89-1 pregn-17(20)-ene-3β,21-diol 
• 74499-15-3 3β,21-diacetoxy-pregn-17(20)-ene 
• 1291087-18-7 3β,21-diacetoxy-17α,20α-epoxy-5α-pregnane 
• 1291087-19-8 3β,21-diacetoxy-5α-pregnan-17α,20-diol 
• 6003-22-1 3β,21-diacetoxy-5α-pregnan-17α-ol-20-one 
• 6003-22-1 17-hydroxy-3β.21-diacetoxy-5α.17βH-pregnanone-(20) 
• 148146-55-8 5α.17βH-pregnene-(20)-diyl-(3β.17)-diacetate 

Downstream Products

• 846-46-8 androstanedione 
• 566-41-6 (20R)-5α-pregnanetetrol-(3β,17,20,21) 

Relevant articles and documents

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Biotransformation of corticosteroids by Penicillium decumbens ATCC 10436

The biotransformation of a series of corticosteroids by the fungus Penicillium decumbens ATCC 10436 has been investigated. Conversion to the corresponding 5α-dihydroxteroid was observed for all the Δ4-3-ketosteroids studied with the exception of deoxycorticosterone, which was converted to a Δ14-diene. Deoxycorticosterone acetate was, however, converted to a 5α- dihydro product concomitant with ester hydrolysis. Other substrates carrying a C-21 acetoxy group were also hydrolyzed to the alcohol. In two cases (resulting from deoxycorticosterone acetate and 11-deoxycortisone) the 5α- 3-keto-product was further reduced to the 3β-alcohol. No reduction of δ14-dienes was observed.