Diacetoxyscirpenol

• Formula: C₁₉H₂₆O₇
• Molecular weight: 366.4055
• IUPAC Standard InChI: InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3 Copy

  
• IUPAC Standard InChIKey: AUGQEEXBDZWUJY-UHFFFAOYSA-N Copy
• CAS Registry Number: 2270-40-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4,15-diacetate, (3α,4β)-; Anguidin; Anguidine; ANG 66; MM 4462; Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane)-5a(6H)-methanol, 2,3,4,5,7,9a-hexahydro-3,4-dihydroxy-5,8-dimethyl-, 4,5a-diacetate; Trichothec-9-ene-3α,4β,15-triol, 12,13-epoxy-, 4,15-diacetate; Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4,15-diacetate; Trichothec-9-ene, 12,13-epoxy-4β,15-diazetoxy-3α-hydroxy-; 4β,15-Diacetoxy-3α-hydroxy-12,13-epoxytrichothec-9-ene; 4,15-Diacetoxyscirpen-3-ol; DAS; Diazetoxyskirpenol; NSC-141537; Trichothec-9-ene, 12,13-epoxy-4-β,15-diacetoxy-3-α-hydroxy-; 4,15-Diacetoxyscirp-9-en-3-ol; 4,15-Diacetoxyscirpenol; 4,15-Di-O-acetylscirpenol; Scirp-9-ene-3α,4β,15-triol, 4,15-diacetate; Scirpenetriol 4,15-diacetate; 12,13-epoxytrichothec-9-ene-3α,4β,15-triol 4,15-diacetate
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• Information on this page:
  • Normal alkane RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Normal alkane RI, non-polar column, temperature ramp

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bata, Ványi, et al., 1984
Bata, A.; Ványi, A.; Lásztity, R.; Galácz, J., Determination of trichothecene toxins in foods and feeds, J. Chromatogr., 1984, 286, 357-362, https://doi.org/10.1016/S0021-9673(01)99207-6 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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