Calotroposide B

Base Information

• Chemical Name: Calotroposide B
• CAS No.: 146714-00-3
• Molecular Formula: C₆₃H₉₆O₂₂
• Molecular Weight: 1205.44
• Wikidata: Q105182810
• Mol file: 146714-00-3.mol

Synonyms:12-O-benzoyldeacetylmetaplexigenin 3-O-cymaropyranosyl-1-4-oleandropyranosyl-1-4-oleandropyranosyl-1-4-cymaropyranosyl-1-4-cymaropyranoside;calotroposide B

Chemical Property of Calotroposide B

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 11.99±0.70(Predicted)
• Flash Point: °C
• PSA: 262.74000
• Density: 1.3g/cm³
• LogP: 5.37100
• XLogP3: 4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 19
• Exact Mass: 1204.63932469
• Heavy Atom Count: 85
• Complexity: 2310

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5C(OC(CC5OC)OC6CCC7(C8CC(C9(C(CCC9(C8(CC=C7C6)O)O)(C(=O)C)O)C)OC(=O)C1=CC=CC=C1)C)C)C)C)C)OC)O