(3S,4aR,10aS)-3,6,9-trihydroxy-7-methoxy-3-methyl-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione

Base Information

• Chemical Name: (3S,4aR,10aS)-3,6,9-trihydroxy-7-methoxy-3-methyl-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione
• CAS No.: 67533-03-3
• Molecular Formula: C₁₅H₁₆O₇
• Molecular Weight: 308.288
• DSSTox Substance ID: DTXSID20986913
• Wikidata: Q82975000
• Mol file: 67533-03-3.mol

Synonyms:4,10-dihydrofusarubin;4a,10a-dihydrofusarubin A;4a,10a-dihydrofusarubin B

Chemical Property of (3S,4aR,10aS)-3,6,9-trihydroxy-7-methoxy-3-methyl-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione

Chemical Property:

• Vapor Pressure: 8.03E-16mmHg at 25°C
• Boiling Point: 611.8°Cat760mmHg
• Flash Point: 233°C
• Density: 1.478g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 308.08960285
• Heavy Atom Count: 22
• Complexity: 492

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC2C(CO1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)O)O
• Isomeric SMILES: C[C@]1(C[C@@H]2[C@@H](CO1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)O)O