88337-96-6
Product Name:
15-ACETOXY-3ALPHA,7ALPHA-DIHYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE
Formula:
C17H22O7
Synonyms:
15-AcDON;15-ADON;3-d3-AcDON;15-Acetoxy-3α,7α-dihydroxy-12,13-epoxytrichothec-9-en-8-one;15-Acetylvomitoxin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 196 Ų [M+H3C2O2]- [CCS Type: TW, Method: calibrated with polyalanine] |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H300:Acute toxicity,oral |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 338.4 g/mol |
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XLogP3 | -0.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 3 |
Exact Mass | 338.13655304 g/mol |
Monoisotopic Mass | 338.13655304 g/mol |
Topological Polar Surface Area | 106 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 657 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 7 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
15-acetyldeoxynivalenol is a trichothecene mycotoxin that is deoxynivalenol acetylated on the oxygen at C-15. A skin and eye irritant, along with its 3-acetyl regioisomer and its parent deoxynivalenol it is considered among the most commonly and widely distributed cereal contaminants. It has a role as an epitope and a mycotoxin. It is functionally related to a deoxynivalenol.