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
  • 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-
  • AFBI
  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-
  • 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
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Physical Properties

Property Value Unit Source
log10WS -8.63 Crippen Calculated Property
logPoct/wat 2.276 Crippen Calculated Property
McVol 201.210 ml/mol McGowan Calculated Property

Similar Compounds

Aflatoxin G1. Aflatoxin B2. Buprenorphine. Deserpidine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

Find more compounds similar to Aflatoxin B1.

Sources

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