epi-Isocucurbitacin B

Base Information

• Chemical Name: epi-Isocucurbitacin B
• CAS No.: 17278-28-3
• Molecular Formula: C32H46 O8
• Molecular Weight: 558.7
• Mol file: 17278-28-3.mol

Synonyms:epi-isocucurbitacin B;isocucurbitacin B

Chemical Property of epi-Isocucurbitacin B

Chemical Property:

• Vapor Pressure: 8.26E-23mmHg at 25°C
• Boiling Point: 702.4°Cat760mmHg
• Flash Point: 219.9°C
• PSA: 138.20000
• Density: 1.23g/cm³
• LogP: 3.49930
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 558.31926842
• Heavy Atom Count: 40
• Complexity: 1210

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

IsocucurbitacinB ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(=O)C(C4(C)C)O)C)C)C)O)O
• Isomeric SMILES: CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC(=O)[C@H](C4(C)C)O)C)C)C)O)O