Citrinin

CAS Registry Number®

518-75-2

CAS Name

Citrinin

Molecular Formula

C13H14O5

Molecular Mass

250.25

Cite this Page

Citrinin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=518-75-2 (retrieved 2024-11-24) (CAS RN: 518-75-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178.5 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1

InChIKey

InChIKey=CQIUKKVOEOPUDV-IYSWYEEDSA-N

SMILES

CC1=C2C(C(O)=C(C(O)=O)C1=O)=CO[C@H](C)[C@H]2C

Canonical SMILES

O=C(O)C=1C(=O)C(=C2C(=COC(C)C2C)C1O)C

Other Names for this Substance

  • 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R,4S)-
  • Citrinin
  • 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R-trans)-
  • (3R,4S)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
  • 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid

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Deleted or Replaced CAS Registry Numbers

11003-17-1, 16051-41-5

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