Macrocarpal H

Base Information

• Chemical Name: Macrocarpal H
• CAS No.: 179388-53-5
• Molecular Formula: C28H40O6
• Molecular Weight: 472.61
• UNII: 3V5VQV46B4
• Nikkaji Number: J857.847H
• Wikidata: Q105195261
• Metabolomics Workbench ID: 141742
• ChEMBL ID: CHEMBL518509
• Mol file: 179388-53-5.mol

Synonyms:macrocarpal H

Chemical Property of Macrocarpal H

Chemical Property:

• Vapor Pressure: 1.17E-12mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 543.8 °C at 760 mmHg
• PKA: 5.39±0.50(Predicted)
• Flash Point: 296.7 °C
• PSA: 115.06000
• Density: 1.2 g/cm³
• LogP: 5.71780
• XLogP3: 6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 472.28248899
• Heavy Atom Count: 34
• Complexity: 740

Purity/Quality:

98%min ^*data from raw suppliers

MacrocarpalH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C1CCC(=C)C2C1(CCC(C2)C(C)(C)O)C)C3=C(C(=C(C(=C3O)C=O)O)C=O)O
• Isomeric SMILES: CC(C)C[C@@H]([C@@H]1CCC(=C)[C@H]2[C@]1(CC[C@H](C2)C(C)(C)O)C)C3=C(C(=C(C(=C3O)C=O)O)C=O)O