137649-12-8

Basic information

• Product Name: C₄₆H₅₉N₃O₁₀S
• Synonyms: C₄₆H₅₉N₃O₁₀S
• CAS NO: 137649-12-8
• Molecular Weight: 846.055
• Mol File: 137649-12-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₄₆H₅₉N₃O₁₀S(CAS DataBase Reference)
• NIST Chemistry Reference: C₄₆H₅₉N₃O₁₀S(137649-12-8)
• EPA Substance Registry System: C₄₆H₅₉N₃O₁₀S(137649-12-8)

Safety Data

• Hazardous Substances Data: 137649-12-8(Hazardous Substances Data)

Upstream product

• 81481-22-3 (20S)-20-methyl-5,16-pregnadien-1α,3β,21-triol 1,3-diacetate 
• 66875-21-6 (20S)-(20-Methyl-5-pregnen-1α,3β,21-triol)-1α,3β-diacetat 
• 77308-29-3 (17Z)-5,17-pregnadiene-1α,3β-diol diacetate 
• 126771-87-7 Acetic acid (1S,3R,9S,10R,13R,14R,17R)-3-acetoxy-17-((S)-2-hydroxy-1-methyl-ethyl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl ester 
• 81481-21-2 (Z)-1α,3β-pregna-5,17(20)-diene-1,3-diol 
• 125315-55-1 22-hydroxy-5α,8α-(4-phenyl-3,5-dioxo-1,2,4-triazolidine-1,2-diyl)-23,24-dinorchol-6-ene-1α,3β-diol 1,3-diacetate 
• 20998-18-9 1α,3β-dihydroxy-androst-5-en-17-one 
• 125315-53-9 22-Oxo-5α,8α-(4-phenyl-3,5-dioxo-1,2,4-triazolidine-1,2-diyl)-23,24-dinor-6-cholene-1α,3β-diyl diacetate 
• 80320-89-4 (R)-4-(2-Benzenesulfonyl-ethyl)-2,2,4-trimethyl-[1,3]dioxolane 

Relevant articles and documents

Facile Stereoselective Synthesis of (23S,25R)-1α,25-Dihydroxyvitamin D3 26,23-Lactone, a Major Metabolite of 1α,25-Dihydroxyvitamin D3

(23S,25R)-1α,25-Dihydroxyvitamin D3 26,23-lactone (1a), a major metabolite of 1α,25-dihydroxyvitamin D3 2, was synthesized efficiently and stereoselectively from 1α-hydroxydehydroepiandrosterone (3).The 17-oxosteroid 3 was first converted to C(22)-steroid aldehyde 9 with the natural stereochemistry at C(17) and C(20) using a stereoselective ene reaction as the key step.Then it was combined with the chiral C5 sulfone 4 having the correct stereochemistry for the lactone in 1a.Sulfone 4 was readily obtained from commercially available (R)-citramalic acid.The side-chain lactone with the natural stereochemistry at C(23) was constructed with high stereoselectivity (84percent) by iodo lactonization of the Δ22-26-carboxylic acid 16b under kinetically controlled conditions in the presence of γ-collidine.The stereoselectivity of the iodo lactonization of steroidal Δ22-25-hydroxy-26-carboxylic acids 16b, 24, and 25 was studied in detail, and a mechanism is proposed in which the configuration at C(25) and an added pyridine base play an important role.