(6aR-cis)-1,2,3,6a,9a,11-Hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-5-carboxaldehyde

Base Information

• Chemical Name: (6aR-cis)-1,2,3,6a,9a,11-Hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-5-carboxaldehyde
• CAS No.: 51541-43-6
• Molecular Formula: C18H12O7
• Molecular Weight: 340.2837
• DSSTox Substance ID: DTXSID00965867
• Wikidata: Q82948188
• Mol file: 51541-43-6.mol

Synonyms:Aflatoxin B1 aldehyde;51541-43-6;(6aR-cis)-1,2,3,6a,9a,11-Hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-5-carboxaldehyde;1,2,3,6a,9a,11-Hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-5-carboxaldehyde (6aR-cis)-;Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-5-carboxaldehyde, 1,2,3,6a,9a,11-hexahydro-4-methoxy-1,11-dioxo-, (6aR-cis)-;DTXSID00965867;4-Methoxy-1,11-dioxo-1,2,3,6a,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-5-carbaldehyde

Chemical Property of (6aR-cis)-1,2,3,6a,9a,11-Hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-5-carboxaldehyde

Chemical Property:

• Boiling Point: 595.8°Cat760mmHg
• Flash Point: 266.3°C
• Density: 1.6g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 340.05830272
• Heavy Atom Count: 25
• Complexity: 723

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1C=O
• Isomeric SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1C=O