Hellebrigenin 3-O-glucosylrhamnoside

Base Information

• Chemical Name: Hellebrigenin 3-O-glucosylrhamnoside
• CAS No.: 13289-18-4
• Molecular Formula: C36H52 O15
• Molecular Weight: 724.8
• European Community (EC) Number: 236-303-1
• Metabolomics Workbench ID: 35244
• Mol file: 13289-18-4.mol

Synonyms:3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide;corelborin;corelborine;hellebrin

Chemical Property of Hellebrigenin 3-O-glucosylrhamnoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 283-284°
• Refractive Index: 1.5940 (estimate)
• Boiling Point: 931°Cat760mmHg
• Flash Point: 288.1°C
• PSA: 246.04000
• Density: 1.5g/cm³
• LogP: -0.78820
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 7
• Exact Mass: 724.33062095
• Heavy Atom Count: 51
• Complexity: 1410

Purity/Quality:

98% ^*data from raw suppliers

Hellebrin ≥99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)OC7C(C(C(C(O7)CO)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
• Uses: Hellebrin is a cardiotonic bufadienolide-steroid glycoside.