Corotoxigenin

Base Information

• Chemical Name: Corotoxigenin
• CAS No.: 468-20-2
• Molecular Formula: C23H32O5
• Molecular Weight: 388.504
• Metabolomics Workbench ID: 198833
• Nikkaji Number: J11.329H
• Wikidata: Q105132108
• Mol file: 468-20-2.mol

Synonyms:Corotoxigenin;468-20-2;5-alpha-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-19-OXO-;SCHEMBL21578191;JNTNUSUPTSNMNJ-AULARHRYSA-N;3,14-Dihydroxy-19-oxocard-20(22)-enolide, (3.beta.,5.alpha.)-;5.alpha.-Card-20(22)-enolide, 3.beta.,14-dihydroxy-19-oxo-;Card-20(22)-enolide, 3,14-dihydroxy-19-oxo-, (3-beta,5-alpha)-;Card-20(22)-enolide, 3,14-dihydroxy-19-oxo-, (3.beta.,5.alpha.)-

Chemical Property of Corotoxigenin

Chemical Property:

• Vapor Pressure: 3.55E-16mmHg at 25°C
• Boiling Point: 586.1°Cat760mmHg
• Flash Point: 202.6°C
• PSA: 83.83000
• Density: 1.336g/cm³
• LogP: 2.78330
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 388.22497412
• Heavy Atom Count: 28
• Complexity: 731

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5C3(CCC(C5)O)C=O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@@H]5[C@@]3(CC[C@@H](C5)O)C=O

Technology Process of Corotoxigenin

There total 5 articles about Corotoxigenin 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:

corotoxigenin-3-O-β-digitalopyranosyl-(1→4)-O-β-digitoxopyanoside → D-digitxose (527-52-6) + digitalose (523-74-0,18546-13-9) + corotoxigenin (468-20-2)

Guidance literature:

With hydrogenchloride; In methanol; for 6h; Reflux;

DOI:10.1007/s10600-016-1797-y

Reference yield:

→ 3α,14β-Dihydroxy-19-oxo-carden-(20:22)-olid, Carpogenin (468-20-2,468-21-3,510-63-4,4442-14-2,106972-57-0)

Guidance literature:

aus 3-O-p-Toluolsulfonyl-cannogenin, 1) Acetanhydrid, 2) Hydrolyse;

DOI:10.1002/hlca.19610440421

Reference yield:

→ 3-epi-Corotoxigenin (468-20-2,468-21-3,510-63-4,4442-14-2,106972-57-0)

Guidance literature:

aus Sallerosid, sd. wss.-methanol. H2SO4;

DOI:10.1002/hlca.19610440517

Refernces