Daphnopsis factor R1

Base Information

• Chemical Name: Daphnopsis factor R1
• CAS No.: 66107-37-7
• Molecular Formula: C37H50O9
• Molecular Weight: 638.7875
• Mol file: 66107-37-7.mol

Synonyms:Daphnopsis factor R1;Gnidimacrin, 18-de(benzoyloxy)-28-deoxy-;66107-37-7

Chemical Property of Daphnopsis factor R1

Chemical Property:

• Vapor Pressure: 3.05E-23mmHg at 25°C
• Boiling Point: 743.9°Cat760mmHg
• Flash Point: 228.8°C
• Density: 1.32g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 638.34548317
• Heavy Atom Count: 46
• Complexity: 1250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCCCCCCC23OC4C5C6C(O6)(C(C7(C(C1C(C7OC(=O)C8=CC=CC=C8)C)C5(O2)C(CC4(O3)C(=C)C)C)O)O)CO
• Isomeric SMILES: C[C@@H]1CCCCCCCC23O[C@@H]4C5[C@H]6C(O6)(C(C7([C@@H](C1C(C7OC(=O)C8=CC=CC=C8)C)[C@@]5(O2)[C@@H](C[C@@]4(O3)C(=C)C)C)O)O)CO