Arvenin I

Base Information

• Chemical Name: Arvenin I
• CAS No.: 65247-27-0
• Molecular Formula: C38H56 O13
• Molecular Weight: 720.84
• Nikkaji Number: J17.944B
• Metabolomics Workbench ID: 156357
• ChEMBL ID: CHEMBL540114
• Mol file: 65247-27-0.mol

Synonyms:arvenin I

Chemical Property of Arvenin I

Chemical Property:

• Vapor Pressure: 4.01E-34mmHg at 25°C
• Boiling Point: 856°C at 760 mmHg
• PKA: 12.60±0.29(Predicted)
• Flash Point: 257.9°C
• PSA: 217.35000
• Density: 1.34g/cm³
• LogP: 1.32350
• XLogP3: 1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 720.37209184
• Heavy Atom Count: 51
• Complexity: 1520

Purity/Quality:

99%, ^*data from raw suppliers

CucurbitacinB2-O-beta-D-glucoside ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)OC5C(C(C(C(O5)CO)O)O)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]3C[C@@H](C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O