Glaucocalyxin B

Base Information

• Chemical Name: Glaucocalyxin B
• CAS No.: 80508-81-2
• Molecular Formula: C22H30O5
• Molecular Weight: 374.477
• ChEMBL ID: CHEMBL563681
• Metabolomics Workbench ID: 142926
• Nikkaji Number: J3.313.393F
• Wikidata: Q104400758
• Mol file: 80508-81-2.mol

Synonyms:glaucocalyxin B

Chemical Property of Glaucocalyxin B

Chemical Property:

• Vapor Pressure: 1.71E-12mmHg at 25°C
• Melting Point: 190.5-191 oC
• Boiling Point: 509.1°Cat760mmHg
• PKA: 13.42±0.70(Predicted)
• Flash Point: 172.9°C
• PSA: 80.67000
• Density: 1.21g/cm³
• LogP: 2.84580
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 374.20932405
• Heavy Atom Count: 27
• Complexity: 752

Purity/Quality:

99% ^*data from raw suppliers

GlaucocalyxinB 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C2CCC3C1(C(CC4C3(CCC(=O)C4(C)C)C)O)C(=O)C2=C
• Isomeric SMILES: CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1([C@@H](C[C@H]4[C@]3(CCC(=O)C4(C)C)C)O)C(=O)C2=C