mollicellin F

Base Information

• Chemical Name: mollicellin F
• CAS No.: 68455-12-9
• Molecular Formula: C21H17ClO8
• Molecular Weight: 432.8079
• UNII: 12JN3G4938
• DSSTox Substance ID: DTXSID70218574
• Nikkaji Number: J2.770.219H
• Wikidata: Q27137141
• Metabolomics Workbench ID: 45993
• ChEMBL ID: CHEMBL1080083

Synonyms:mollicellin F;68455-12-9;UNII-12JN3G4938;CHEBI:68721;12JN3G4938;2H,11H-1-Benzopyrano(6,7-b)(1,4)benzodioxepin-7-carboxaldehyde, 9-chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-;9-Chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-1-benzopyrano(6,7-b)(1,4)benzodioxepin-7-carboxaldehyde;Mollicelline F;2H,11H-1-Benzopyrano[6,7-b][1,4]benzodioxepin-7-carboxaldehyde, 9-chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-;CHEMBL1080083;DTXSID70218574;9-chloro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde;Q27137141;2H,11H-(1,4)BENZODIOXEPINO(2,3-G)-1-BENZOPYRAN-7-CARBOXALDEHYDE, 9-CHLORO-3,4-DIHYDRO-8,13-DIHYDROXY-2,2,5,10-TETRAMETHYL-4,11-DIOXO-;6-chloro-5,12-dihydroxy-7,15,15,19-tetramethyl-9,17-dioxo-2,10,14-trioxatetracyclo[9.8.0.0^{3,8}.0^{13,18}]nonadeca-1(19),3(8),4,6,11,13(18)-hexaene-4-carbaldehyde;9-chloro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde

Chemical Property of mollicellin F

Chemical Property:

• Vapor Pressure: 1.76E-19mmHg at 25°C
• Boiling Point: 686.6°C at 760 mmHg
• Flash Point: 369°C
• Density: 1.501g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 432.0611952
• Heavy Atom Count: 30
• Complexity: 741

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=O)CC(OC2=C(C3=C1OC4=C(C(=C(C(=C4C(=O)O3)C)Cl)O)C=O)O)(C)C

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