Scilliglaucosidine

Base Information

• Chemical Name: Scilliglaucosidine
• CAS No.: 21887-06-9
• Molecular Formula: C24H28O5
• Molecular Weight: 396.4761
• DSSTox Substance ID: DTXSID90944484
• Nikkaji Number: J79.266G
• Wikidata: Q76149193
• Mol file: 21887-06-9.mol

Synonyms:Scilliglaucosidine;3-Dehydroscilliglaucosidin;Scilliglaucosidin, 3-dehydro-;21887-06-9;3,19-Dioxo-14-hydroxybufa-4,20,22-trienolide;BUFA-4,20,22-TRIENOLIDE, 3,19-DIOXO-14-HYDROXY-;Scilliglaucosidone;DTXSID90944484;LS-45323;14-Hydroxy-3,19-dioxobufa-4,20,22-trienolide

Chemical Property of Scilliglaucosidine

Chemical Property:

• Vapor Pressure: 1.15E-17mmHg at 25°C
• Boiling Point: 614.4°Cat760mmHg
• Flash Point: 213.4°C
• PSA: 84.58000
• Density: 1.29g/cm³
• LogP: 3.54920
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 396.19367399
• Heavy Atom Count: 29
• Complexity: 882

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5=CC(=O)CCC35C=O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CCC5=CC(=O)CC[C@]35C=O

Technology Process of Scilliglaucosidine

There total 6 articles about Scilliglaucosidine 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:

hellebrigenin (465-90-7) → 14-hydroxy-3,19-dioxo-14β-bufa-4,20,22-trienolide (21887-06-9)

Guidance literature:

With oxygen; acetone; In Gegenwart von Platin und Erhitzen des Reaktionsprodukts mit Essigsaeure;

DOI:10.1002/hlca.19570400333

Reference yield:

3β,14,19-trihydroxy-14β-bufa-4,20,22-trienolide (26577-92-4) → 14-hydroxy-3,19-dioxo-14β-bufa-4,20,22-trienolide (21887-06-9)

Guidance literature:

With chloroform; di-tert-butyl chromate; tert-butyl alcohol; Reagens 4: Tetrachlormethan;

DOI:10.1002/hlca.19570400228

Reference yield:

water (7732-18-5) + hellebrigenin (465-90-7) + acetone (67-64-1) → 14-hydroxy-3,19-dioxo-14β-bufa-4,20,22-trienolide (21887-06-9)

Guidance literature:

anschl. mit Essigsaeure;

DOI:10.1002/hlca.19570400333

upstream raw materials:

hellebrigenin

3β,14,19-trihydroxy-14β-bufa-4,20,22-trienolide

water

acetone

Downstream raw materials:

3α,14,19-trihydroxy-14β-bufa-4,20,22-trienolide

3β,14,19-trihydroxy-14β-bufa-4,20,22-trienolide