4-[2-hydroxy-7-[5-[(E)-1,4,5-trihydroxyhenicos-8-enyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

Base Information

• Chemical Name: 4-[2-hydroxy-7-[5-[(E)-1,4,5-trihydroxyhenicos-8-enyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
• CAS No.: 145403-31-2
• Molecular Formula: C₃₇H₆₆O₇
• Molecular Weight: 622.927
• Nikkaji Number: J855.835C
• Metabolomics Workbench ID: 48596
• Mol file: 145403-31-2.mol

Synonyms:gigantetronenin;gigantrionenin

Chemical Property of 4-[2-hydroxy-7-[5-[(E)-1,4,5-trihydroxyhenicos-8-enyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

Chemical Property:

• Vapor Pressure: 7.36E-28mmHg at 25°C
• Boiling Point: 776.7°Cat760mmHg
• Flash Point: 230.6°C
• PSA: 116.45000
• Density: 1.042g/cm³
• LogP: 7.61750
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 27
• Exact Mass: 622.48085444
• Heavy Atom Count: 44
• Complexity: 797

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC=CCCC(C(CCC(C1CCC(O1)CCCCCC(CC2=CC(OC2=O)C)O)O)O)O
• Isomeric SMILES: CCCCCCCCCCCC/C=C/CCC(C(CCC(C1CCC(O1)CCCCCC(CC2=CC(OC2=O)C)O)O)O)O