Chemical Properties of Aflatoxin b1 (CAS 1162-65-8)

Aflatoxin b1

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InChI
InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3
InChI Key
OQIQSTLJSLGHID-UHFFFAOYSA-N
Formula
C17H12O6
SMILES
COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C=COC1O2
Molecular Weight1
312.27
CAS
1162-65-8
Other Names
  • 1-Cyclopentene-1-carboxylic acid, 2-(3a,8a-dihydro-4-hydroxy-6-methoxyfuro[2,3-b]benzofuran-5-yl)-5-oxo-, «delta»-lactone
  • 2,3,6a«alpha»,9a«alpha»-tetrahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione
  • AFBI
  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-
  • Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)-
  • Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a«alpha»,9a«alpha»-tetrahydro-4-methoxy-
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 2.28 Crippen Calculated Property

Similar Compounds

Aflatoxin B2. Aflatoxin G1. Aflatoxin G2. Ergocristin. Thebaine. Chlortetracycline hydrochloride. Nalmefene, bis(trifluoroacetate). Sterigmatocystin, O-tert.-butyldimethylsilyl-. Cyanocobalamin. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. ERGOTAMINE. Codeinone, 14-hydroxy-. Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3«alpha»,14«alpha»,16«alpha»)-. Vincamine. Naloxone, bis(trimethylsilyl) ether.

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