Helveticoside

Base Information

• Chemical Name: Helveticoside
• CAS No.: 630-64-8
• Molecular Formula: C29H42 O9
• Molecular Weight: 534.647
• European Community (EC) Number: 211-140-9
• UNII: 52OAE3C457
• DSSTox Substance ID: DTXSID001317694
• Nikkaji Number: J15.794E
• Wikidata: Q27106852
• Metabolomics Workbench ID: 68974
• Mol file: 630-64-8.mol

Synonyms:helveticoside

Chemical Property of Helveticoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 170°C (dec.)
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 735.611°C at 760 mmHg
• PKA: 13.68±0.70(Predicted)
• Flash Point: 240.263°C
• PSA: 142.75000
• Density: 1.36±0.1 g/cm3 (20 ºC 760 Torr)
• LogP: 1.77920
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 534.28288291
• Heavy Atom Count: 38
• Complexity: 1010

Purity/Quality:

98%Min ^*data from raw suppliers

20-(22),5-BETA-CARDENOLID-19-ALPHA-3-BETA-5BETA,14BETA-TRIOL-[(2,6-DIDEOXY-BETA-D-RIBOHEXOPYRANOSYL)OXY] 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O
• Isomeric SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O
• Uses: Helveticoside is a candidate drug that induces a similar gene expression pattern.

Technology Process of Helveticoside

There total 5 articles about Helveticoside 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:

→ Alleoside A (630-64-8)

Guidance literature:

With enzyme-substance from strophanthus kombe;

DOI:10.1007/BF00594818

Reference yield:

→ Helveticosid (508-76-9,630-64-8,6869-17-6,52611-48-0,88195-72-6,88197-38-0)

Guidance literature:

Neoglucoerysimosid, Hydrolyse;

DOI:10.1007/BF00565297

Reference yield:

→ Helveticosid (508-76-9,630-64-8,6869-17-6,52611-48-0,88195-72-6,88197-38-0)

Guidance literature:

Erysimosid, Spaltung mit Ferment Helix peectotroper in wss. EtOH;

Downstream raw materials:

C₃₇H₄₈O₁₀