Sterigmatocystin 1,2-oxide

Base Information

• Chemical Name: Sterigmatocystin 1,2-oxide
• CAS No.: 76014-27-2
• Molecular Formula: C18H12 O7
• Molecular Weight: 340.28368
• DSSTox Substance ID: DTXSID60997361
• Mol file: 76014-27-2.mol

Synonyms:76014-27-2;Sterigmatocystin 1,2-oxide;Sterigmatocystin-1,2-epoxide;DTXSID60997361;5H-Oxireno(4',5')furo(3',2':4,5)furo(2,3-c)xanthen-5-one,8a,9a,10a,10b-tetrahydro-4-hydroxy-6-methoxy-, (8aS-(8aalpha,9abeta,10abeta,10balpha))-;7-Hydroxy-5-methoxy-1a,2a,11c,11d-tetrahydro-6H-oxireno[4',5']furo[3',2':4,5]furo[2,3-c]xanthen-6-one

Chemical Property of Sterigmatocystin 1,2-oxide

Chemical Property:

• Boiling Point: 591.8oC at 760 mmHg
• Flash Point: 224.8oC
• PSA: 90.66000
• Density: 1.61g/cm3
• LogP: 2.21760
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 340.05830272
• Heavy Atom Count: 25
• Complexity: 596

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C(=C3C4C5C(O5)OC4OC3=C1)OC6=CC=CC(=C6C2=O)O