5beta-Cholane-3alpha,7alpha,12alpha,24-tetrol

Base Information

• Chemical Name: 5beta-Cholane-3alpha,7alpha,12alpha,24-tetrol
• CAS No.: 3758-71-2
• Molecular Formula: C₂₄H₄₂O₄
• Molecular Weight: 394.595
• DSSTox Substance ID: DTXSID401278460
• Nikkaji Number: J1.252.269J
• Metabolomics Workbench ID: 36542
• ChEMBL ID: CHEMBL270703
• Mol file: 3758-71-2.mol

Synonyms:CHEMBL270703;5beta-Cholane-3alpha,7alpha,12alpha,24-tetrol;5beta-Petromyzonol;LMST04010302;SCHEMBL1972907;BMSROUVLRAQRBY-YHEMGIGTSA-N;CHEBI:168625;DTXSID401278460;BDBM50375567;(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol;3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholane;(3alpha,5beta,7alpha,12alpha)-Cholane-3,7,12,24-tetrol;"(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol";3758-71-2

Chemical Property of 5beta-Cholane-3alpha,7alpha,12alpha,24-tetrol

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 394.30830982
• Heavy Atom Count: 28
• Complexity: 567

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCCO)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
• Isomeric SMILES: C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Technology Process of 5beta-Cholane-3alpha,7alpha,12alpha,24-tetrol

There total 3 articles about 5beta-Cholane-3alpha,7alpha,12alpha,24-tetrol 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:

→ Petromyzonol (3758-71-2,28979-29-5)

Guidance literature:

n-Propylallocholat (hrgestellt aus Allocholsaeure, n-PrOH), LiAlH4;

Reference yield:

→ (3R,7R,10S,12S,13R,17R)-17-(4-Hydroxy-1-methyl-butyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthrene-3,7,12-triol (3758-71-2,28979-29-5)

Guidance literature:

3α,7α,12α-Trihydroxy-5β-cholan-24-oat, LiAlH4;

Reference yield:

Acetic acid (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetoxy-17-[(R)-4-(tert-butyl-dimethyl-silanyloxy)-6-hydroxy-5-hydroxymethyl-1-methyl-hexyl]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-12-yl ester → 3α,7α,12α-trihydroxycholan-24-ol (3758-71-2) + scymnol (6785-34-8)

Guidance literature:

With acetic acid; In tetrahydrofuran; at 40 ℃; for 72h;

Downstream raw materials:

tert-Butoxycarbonylamino-acetic acid (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-bis-(2-tert-butoxycarbonylamino-acetoxy)-10,13-dimethyl-17-((R)-1-methyl-4-trityloxy-butyl)-hexadecahydro-cyclopenta[a]phenanthren-12-yl ester