Macrocarpal B

Base Information

• Chemical Name: Macrocarpal B
• CAS No.: 142698-60-0
• Molecular Formula: C28H40O6
• Molecular Weight: 472.6136
• DSSTox Substance ID: DTXSID80162130
• Nikkaji Number: J867.764F
• Wikidata: Q72487951
• Metabolomics Workbench ID: 133467
• ChEMBL ID: CHEMBL396848
• Mol file: 142698-60-0.mol

Synonyms:macrocarpal B

Chemical Property of Macrocarpal B

Chemical Property:

• Vapor Pressure: 2.63E-12mmHg at 25°C
• Refractive Index: 1.595
• Boiling Point: 535.7 °C at 760 mmHg
• Flash Point: 291.8 °C
• PSA: 115.06000
• Density: 1.201g/cm³
• LogP: 5.40760
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 472.28248899
• Heavy Atom Count: 34
• Complexity: 774

Purity/Quality:

98%min ^*data from raw suppliers

MacrocarpalB >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C1=C(C(=C(C(=C1O)C=O)O)C=O)O)C2(CCC3C2C4C(C4(C)C)CCC3(C)O)C
• Isomeric SMILES: CC(C)C[C@H](C1=C(C(=C(C(=C1O)C=O)O)C=O)O)[C@]2(CC[C@@H]3[C@@H]2[C@H]4[C@H](C4(C)C)CC[C@@]3(C)O)C