Aflatoxin B1 diol

CAS Registry Number®

50668-79-6

CAS Name

Aflatoxin B1 diol

Molecular Formula

C17H14O8

Molecular Mass

346.29

Cite this Page

Aflatoxin B1 diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50668-79-6 (retrieved 2024-11-25) (CAS RN: 50668-79-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H14O8/c1-22-7-4-8-11(12-13(19)16(21)25-17(12)23-8)14-10(7)5-2-3-6(18)9(5)15(20)24-14/h4,12-13,16-17,19,21H,2-3H2,1H3/t12-,13-,16-,17+/m1/s1

InChIKey

InChIKey=JRZBEIPOZPNWID-KFZJALRRSA-N

SMILES

O[C@@H]1[C@]2(C=3C4=C(C5=C(C(=O)O4)C(=O)CC5)C(OC)=CC3O[C@]2(O[C@H]1O)[H])[H]

Canonical SMILES

O=C1OC2=C(C(OC)=CC=3OC4OC(O)C(O)C4C32)C5=C1C(=O)CC5

Other Names for this Substance

  • Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-8,9-dihydroxy-4-methoxy-, (6aS,8R,9R,9aR)-
  • Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-8,9-dihydroxy-4-methoxy-, [6aS-(6aα,8β,9α,9aα)]-
  • (6aS,8R,9R,9aR)-2,3,6a,8,9,9a-Hexahydro-8,9-dihydroxy-4-methoxycyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-1,11-dione
  • 2,3-Dihydro-2,3-dihydroxyaflatoxin B1
  • Aflatoxin B1 2,3-dihydrodiol

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CAS INSIGHTSTM
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