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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H12Cl2O6
Molecular Weight 383.18
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFLATOXIN B1 2,3-DICHLORIDE

SMILES

[H][C@]12O[C@@H](Cl)[C@H](Cl)[C@@]1([H])C3=C(O2)C=C(OC)C4=C3OC(=O)C5=C4CCC5=O

InChI

InChIKey=SHIWCSLVBGROOU-SMKXDYDZSA-N
InChI=1S/C17H12Cl2O6/c1-22-7-4-8-11(12-13(18)15(19)25-17(12)23-8)14-10(7)5-2-3-6(20)9(5)16(21)24-14/h4,12-13,15,17H,2-3H2,1H3/t12-,13-,15-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H12Cl2O6
Molecular Weight 383.18
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:32:46 GMT 2023
Edited
by admin
on Fri Dec 15 18:32:46 GMT 2023
Record UNII
7X527Z4QS3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFLATOXIN B1 2,3-DICHLORIDE
Common Name English
Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione, 8,9-dichloro-2,3,6a,8,9,9a-hexahydro-4-methoxy-, [6aS-(6aα,8β,9α,9aα)]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10973771
Created by admin on Fri Dec 15 18:32:46 GMT 2023 , Edited by admin on Fri Dec 15 18:32:46 GMT 2023
PRIMARY
CAS
58209-98-6
Created by admin on Fri Dec 15 18:32:46 GMT 2023 , Edited by admin on Fri Dec 15 18:32:46 GMT 2023
PRIMARY
FDA UNII
7X527Z4QS3
Created by admin on Fri Dec 15 18:32:46 GMT 2023 , Edited by admin on Fri Dec 15 18:32:46 GMT 2023
PRIMARY
PUBCHEM
107728
Created by admin on Fri Dec 15 18:32:46 GMT 2023 , Edited by admin on Fri Dec 15 18:32:46 GMT 2023
PRIMARY