Aflatoxin B1
Properties
- Molecular formula
- C17H12O6
- Molar mass
- 312.28 g/mol
- Exact mass
- 312.0634 Da
- Melting point
- 268–269 °C
- logP
- 2.28Crippen estimate
- Polar surface area
- 75.0 Ų
- H-bond donors / acceptors
- 0 / 6
- Rotatable bonds
- 1
- Stereocentres
- S, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
1162-65-8SMILES
COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C=CO[C@@H]1O2InChIKey
OQIQSTLJSLGHID-WNWIJWBNSA-NInChI
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/t8-,17+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 1H,11H-Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR,9aS)-
- Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6aα,9aα-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)-
- 1-Cyclopentene-1-carboxylic acid, 2-(3a,8a-dihydro-4-hydroxy-6-methoxyfuro[2,3-b]benzofuran-5-yl)-5-oxo-, δ-lactone
- Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR,9aS)-
- (6aR,9aS)-2,3,6a,9a-Tetrahydro-4-methoxy-1H,11H-cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione
- AFB1
- (-)-Aflatoxin B1
- NSC 529592
Work with Aflatoxin B1
Similar compounds
5,6-Dimethoxy-1-indanone2107-69-933 % similar
4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-732 % similar
Loureirin B119425-90-030 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds