Aflatoxin B1
- Formula: C17H12O6
- Molecular weight: 312.2736
- IUPAC Standard 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
- IUPAC Standard InChIKey: OQIQSTLJSLGHID-UHFFFAOYSA-N
- CAS Registry Number: 1162-65-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - 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, 2,3,6aα,9aα-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-, δ-lactone; 2,3,6aα,9aα-tetrahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione
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IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | Copyright (C) 1987 by the Coblentz Society Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | K. K. DEB-NCI FREDERICK CANCER RESEARCH CENTER |
| Source reference | COBLENTZ NO. 9719 |
| Date | 1973/11/30 |
| Name(s) | 4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione |
| State | SOLID (1 mg / 350 mg KBr DISC) PURITY - ANALYTICAL BY TLC (ALDRICH CHEM. 85-620-7) |
| Instrument | PERKIN-ELMER 180 (GRATING) |
| Instrument parameters | GRATINGS: 2000, 1000, 500, 250 CM-1; FILTER CHANGE: 2970, 2000, 1485, 1000, 743, 500, 372, 250, 186 CM-1. |
| Resolution | 2 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
No reference data available.
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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