Aflatoxin B2 alpha structure

Aflatoxin B2 alpha

11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione

CAS: 22040-96-6
Molecular Formula C17H14O6
Molecular Weight 314.29 g/mol
LogP 1.3
Topological Polar Surface Area 71.1 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 1
Exact Mass 314.07904
Heavy Atoms 23
Complexity 610.0

Chemical Identifiers

CAS Number 22040-96-6
SMILES COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CCOC5OC4=C1
InChIKey WWSYXEZEXMQWHT-UHFFFAOYSA-N

📖 Product Overview

Aflatoxin B2 alpha (CAS: 22040-96-6) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.29 g/mol. Its IUPAC systematic name is 11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione. LogP 1.3 Topological Polar Surface Area 71.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 1 Exact Mass 314.07904 Heavy Atoms 23 Complexity 610.0 InChI Key: WWSYXEZEXMQWHT-UHFFFAOYSA-N. SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CCOC5OC4=C1.

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