Vismione D

Base Information

• Chemical Name: Vismione D
• CAS No.: 87605-72-9
• Molecular Formula: C25H30O5
• Molecular Weight: 410.5027
• ChEMBL ID: CHEMBL487795
• DSSTox Substance ID: DTXSID801112919
• Metabolomics Workbench ID: 70333
• Nikkaji Number: J258.590A
• NSC Number: 605104
• Wikidata: Q27108552
• Mol file: 87605-72-9.mol

Synonyms:Vismione D;B676297K169 Vismione D;CHEMBL487795;87605-72-9;CHEBI:10000;6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,8,9-trihydroxy-3-methyl-2,4-dihydroanthracen-1-one;AC1NQYNG;AC1Q6NH0;SCHEMBL16226259;SCHEMBL16226261;DTXSID801112919;NSC605104;NSC-605104;C09977;Q27108552;6-[[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy]-3,4-dihydro-3,8,9-trihydroxy-3-methyl-1(2H)-anthracenone

Chemical Property of Vismione D

Chemical Property:

• Vapor Pressure: 5.92E-15mmHg at 25°C
• Boiling Point: 594°Cat760mmHg
• Flash Point: 199.8°C
• PSA: 86.99000
• Density: 1.212g/cm³
• LogP: 5.20240
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 410.20932405
• Heavy Atom Count: 30
• Complexity: 679

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=CCCC(=CCOC1=CC(=C2C(=C1)C=C3CC(CC(=O)C3=C2O)(C)O)O)C)C
• Isomeric SMILES: CC(=CCC/C(=C/COC1=CC(=C2C(=C1)C=C3CC(CC(=O)C3=C2O)(C)O)O)/C)C

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