15-Acetyldeoxynivalenol

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Systematic / IUPAC Name: (3β,7α,12ξ)-3,7-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-15-yl acetate

ID: Reference6184

Other Names: Trichothec-9-en-8-one, 15-(acetyloxy)-12,13-epoxy-3,7-dihydroxy-, (2α,3α,6β,7β,11β,12ξ)-;
Trichothec-9-en-8-one, 15-(acetyloxy)-12,13-epoxy-3,7-dihydroxy-, (3α,7α)-

Formula: C17H22O7

Class: Natural Toxins

Spectral Data

15-Acetyldeoxynivalenol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 3421
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/19/2016 12:10:15 PM
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Identificators

InChI InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17?/m1/s1
InChI Key IDGRYIRJIFKTAN-KLOHDQKESA-N
Canonical SMILES CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)COC(=O)C
CAS 88337966
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Other Names Trichothec-9-en-8-one, 15-(acetyloxy)-12,13-epoxy-3,7-dihydroxy-, (2α,3α,6β,7β,11β,12ξ)-;
Trichothec-9-en-8-one, 15-(acetyloxy)-12,13-epoxy-3,7-dihydroxy-, (3α,7α)-

In Other Databases

ChemIDPlus 088337966
PubChem 3034750
ChemSpider 2299161