Trichothecin

CAS Registry Number®

6379-69-7
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CAS Name

Trichothecin

Molecular Formula

C19H24O5

Molecular Mass

332.39

Cite this Page

Trichothecin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6379-69-7 (retrieved 2024-08-28) (CAS RN: 6379-69-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    118 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C19H24O5/c1-5-6-16(21)24-14-8-15-19(10-22-19)18(14,4)17(3)9-12(20)11(2)7-13(17)23-15/h5-7,13-15H,8-10H2,1-4H3/b6-5-/t13-,14-,15-,17+,18-,19+/m1/s1

InChIKey

InChIKey=LJWZOKOFCBPNAG-HULHSAFCSA-N

SMILES

C[C@@]12[C@@]3([C@@](C[C@H]1OC(/C=C\C)=O)(O[C@]4([C@]2(C)CC(=O)C(C)=C4)[H])[H])CO3

Canonical SMILES

O=C(OC1CC2OC3C=C(C(=O)CC3(C)C1(C)C42OC4)C)C=CC

Other Names for this Substance

  • Trichothec-9-en-8-one, 12,13-epoxy-4-[[(2Z)-1-oxo-2-butenyl]oxy]-, (4β)-
  • Trichothecin
  • Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, crotonate
  • Trichothec-9-en-8-one, 12,13-epoxy-4-[(1-oxo-2-butenyl)oxy]-, [4β(Z)]-
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-en-8-one deriv.

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Deleted or Replaced CAS Registry Numbers

76-27-7, 1376-49-4, 34445-47-1