12beta-Hydroxyresibufogenin

Base Information

• Chemical Name: 12beta-Hydroxyresibufogenin
• CAS No.: 2042-58-2
• Molecular Formula: C24H32O5
• Molecular Weight: 400.5079
• ChEMBL ID: CHEMBL456431
• Metabolomics Workbench ID: 121115
• Nikkaji Number: J1.608.283J
• Wikidata: Q76506699
• Mol file: 2042-58-2.mol

Synonyms:12beta-hydroxyresibufogenin;12-beta-Hydroxyresibufogenin;CHEMBL456431;2042-58-2;(3-beta,5-beta,12-beta,15-beta)-3,12-Dihydroxy-14,15-epoxybufa-20,22-dienolide;Bufa-20,22-dienolide, 3,12-dihydroxy-14,15-epoxy-, (3-beta,5-beta,12-beta,15-beta)-

Chemical Property of 12beta-Hydroxyresibufogenin

Chemical Property:

• Vapor Pressure: 5.94E-17mmHg at 25°C
• Boiling Point: 601°Cat760mmHg
• Flash Point: 207.8°C
• Density: 1.31g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 400.22497412
• Heavy Atom Count: 29
• Complexity: 818

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CC(C4(C35C(O5)CC4C6=COC(=O)C=C6)C)O)O
• Isomeric SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O

Technology Process of 12beta-Hydroxyresibufogenin

There total 2 articles about 12beta-Hydroxyresibufogenin 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:

→ 12β-Hydroxy-resibufogenin (2042-58-2,20095-76-5)

Guidance literature:

Resibufogenin, Hydroxylierung mit Kulturen von Fusarium lini in Aceton bei 27grad;

DOI:10.1002/hlca.19640470815

Reference yield:

→ 12β-Hydroxy-resibufogenin (2042-58-2,20095-76-5)

Guidance literature:

Resibufogenin, Kulturlsg. von Gibberella Saubinetti in Me.;

DOI:10.1248/yakushi1947.85.12_1092

Refernces