delta 5-Pregnenetriol

Base Information

• Chemical Name: delta 5-Pregnenetriol
• CAS No.: 903-67-3
• Molecular Formula: C₂₁H₃₄O₃
• Molecular Weight: 334.499
• DSSTox Substance ID: DTXSID30920469
• Nikkaji Number: J10.574K
• Wikidata: Q82893188
• Metabolomics Workbench ID: 200418
• Mol file: 903-67-3.mol

Synonyms:5-pregnene-3 beta,17 alpha,20 alpha-triol;5-pregnene-3 beta,17 alpha,20 alpha-triol, (3beta)-isomer;5-pregnene-3 beta,17 alpha,20 alpha-triol, (3beta,20beta)-isomer;delta 5-pregnenetriol;pregn-5-ene-3 beta,17 alpha,20 alpha-triol

Chemical Property of delta 5-Pregnenetriol

Chemical Property:

• Vapor Pressure: 2.42E-11mmHg at 25°C
• Boiling Point: 482.7°Cat760mmHg
• Flash Point: 216.1°C
• PSA: 60.69000
• Density: 1.16g/cm³
• LogP: 3.42200
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 334.25079494
• Heavy Atom Count: 24
• Complexity: 557

Purity/Quality:

99% ^*data from raw suppliers

(3β,20S)-Pregn-5-ene-3,17,20-triol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)O
• Isomeric SMILES: C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O

Technology Process of delta 5-Pregnenetriol

There total 16 articles about delta 5-Pregnenetriol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Δ5-pregnene 3β,17α,20(S)-triol 20-O-β-D-digitalopyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-canoropyranosyl-(1->4)-β-D-digitoxopyranosyl-(1->5)-3,7-dideoxy-4-O-methyl-α-D-gluco-2-heptulopyranosyl-(2-4)-dideoxy-(1->3)-β-D-canaropyranoside (119902-15-7) → D-cymarose (492-34-2,492-35-3,492-36-4,530-01-8,45876-76-4,87037-59-0,87037-60-3,89253-98-5,89253-99-6,99436-74-5,99437-07-7,135502-90-8) + 2,6-dideoxy-β-D-arabino-hexospyranose (78185-02-1) + Δ5-pregnene-3β,17α,20α-triol (903-67-3) + Δ5-pregnene 3β,17α,20(S)-triol 3-O-(4',6'-dideoxy-3'-O-methyl-Δ3'-D-2'-hexosuloside) (112899-63-5)

Guidance literature:

With sulfuric acid; In methanol; water; at 80 ℃; for 1h; Further byproducts given;

DOI:10.1248/cpb.36.4441

Reference yield:

Δ5-pregnene 3β,17α,20(S)-triol 20-O-β-D-digitalopyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-canoropyranosyl-(1->4)-β-D-digitoxopyranosyl-(1->5)-3,7-dideoxy-4-O-methyl-α-D-gluco-2-heptulopyranosyl-(2-4)-dideoxy-(1->3)-β-D-canaropyranoside (119902-15-7) → 2,6-dideoxy-β-D-arabino-hexospyranose (78185-02-1) + 6-deoxy-3-O-methyl-β-D-galactose (484-36-6,484-37-7,523-75-1,25672-81-5,78185-80-5,78185-81-6,118333-77-0) + Δ5-pregnene-3β,17α,20α-triol (903-67-3) + Δ5-pregnene 3β,17α,20(S)-triol 3-O-(4',6'-dideoxy-3'-O-methyl-Δ3'-D-2'-hexosuloside) (112899-63-5)

Guidance literature:

With sulfuric acid; In methanol; water; at 80 ℃; for 1h; Further byproducts given;

DOI:10.1248/cpb.36.4441

Reference yield:

Δ5-pregnene-3β,17α,20(S)-triol 20-O-(β-D-digitalopyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-cymaropyranosyl-(1->5)-3,7-dideoxy-4-O-methyl-α-D-gluco-2-heptulopyranosyl-(2-4)-dideoxy-(1->3)-β-D-canaropyranoside) (119902-17-9) → D-cymarose (492-34-2,492-35-3,492-36-4,530-01-8,45876-76-4,87037-59-0,87037-60-3,89253-98-5,89253-99-6,99436-74-5,99437-07-7,135502-90-8) + β-D-digitoxopyranose (2053-00-1,17050-70-3,22899-74-7,25029-50-9,45742-39-0,45742-40-3,49871-87-6,51020-42-9,62413-93-8,71328-50-2,74112-04-2,74112-05-3,74112-09-7,74112-10-0,74112-11-1,74112-14-4,78185-01-0,78185-02-1,89253-95-2,89253-96-3,89253-97-4,97276-35-2,102850-49-7,102850-50-0,110043-58-8,138458-66-9,138458-67-0,139630-51-6,139683-22-0) + Δ5-pregnene-3β,17α,20α-triol (903-67-3) + Δ5-pregnene 3β,17α,20(S)-triol 3-O-(4',6'-dideoxy-3'-O-methyl-Δ3'-D-2'-hexosuloside) (112899-63-5)

Guidance literature:

With sulfuric acid; In methanol; water; at 80 ℃; for 1h; Further byproducts given;

DOI:10.1248/cpb.36.4441

upstream raw materials:

3β-acetoxy-17α-hydroxy-5-pregnen-20-one

Δ⁵-pregnene 3β,17α,20(S)-triol 20-O-β-D-digitalopyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-canoropyranosyl-(1->4)-β-D-digitoxopyranosyl-(1->5)-3,7-dideoxy-4-O-methyl-α-D-gluco-2-heptulopyranosyl-(2-4)-dideoxy-(1->3)-β-D-canaropyranoside

Δ⁵-pregnene-3β,17α,20(S)-triol 20-O-(β-D-digitalopyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-cymaropyranosyl-(1->5)-3,7-dideoxy-4-O-methyl-α-D-gluco-2-heptulopyranosyl-(2-4)-dideoxy-(1->3)-β-D-canaropyranoside)

Δ⁵-pregnene-3β,17α,20(S)-triol 3-O-(4',6'-dideoxy-3'-O-methyl-Δ^3'-D-2'-hexosuloside) 20-O-β-D-digitalopyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-β-D-canaropyranosyl-(1->4)-β-D-digitoxopyranosyl-(1->5)-3,7-dideoxy-4-O-methyl-α-D-gluco-2-...

Downstream raw materials:

dehydroepiandrosterone