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15-Acetyldeoxynivalenol

15-Acetyldeoxynivalenol structure

CAS No:
88337-96-6
Formula:
C17H22O7
Chemical Name:
15-Acetyldeoxynivalenol
Synonyms:
Trichothec-9-en-8-one,15-(acetyloxy)-12,13-epoxy-3,7-dihydroxy-,(3α,7α)-;Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane],trichothec-9-en-8-one deriv.;(3α,7α)-15-(Acetyloxy)-12,13-epoxy-3,7-dihydroxytrichothec-9-en-8-one;15-Acetyldeoxynivalenol;Deoxynivalenol 15-acetate;15-Acetylvomitoxin;15-O-Acetyl-4-deoxynivalenol
Categories:
Analytical Chemistry > Standard

Description

15-Acetyl-deoxynivalenol is a highly toxic trichothecene found in cereals, and a metabolite of deoxynivalenol, exhibits toxicity to HepG2 cells[1].

Solid

15-Acetyl-4-deoxynivalenol is a trichothecene.

15-Acetyldeoxynivalenol Basic Attributes

Molecular Weight：

338.35

Exact Mass：

338.35

EC Number：

200-835-2

HScode：

29329990

Characteristics

PSA：

105.59000

XLogP3：

-0.7

Density：

1.42g/cm3

Melting Point：

140-141°C

Boiling Point：

518.8ºC at 760 mmHg

Flash Point：

2 °C

Refractive Index：

1.595

Storage Conditions：

2-8°C

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

23/24/25-36-20/21/22-11

safety instructions：

36/37-45-26-16

RTECS Number：

YD0155000

Marks：

T,Xn,F

Precautionary statement(s)：

P261-P264-P280-P301 + P310-P311

Hazard Statements：

H300-H311-H331

15-Acetyldeoxynivalenol Use and Manufacturing

A mycotoxin produced by the fungi Fusarium culmorum and Fusarium graminearum, inhibits protein synthesis.

Computed Properties

Molecular Weight:338.4
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:338.13655304
Monoisotopic Mass:338.13655304
Topological Polar Surface Area:106
Heavy Atom Count:24
Complexity:657
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes