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3-ACETYLDEOXYNIVALENOL structure, CAS 50722-38-8

3-ACETYLDEOXYNIVALENOL

CAS Number50722-38-8

SynonymsMFCD00135964; 3-acetyldeoxynivalenol; (2α,3β,5α,6β,7β,11β,12ξ)-3-Acetyl-7,15-dihydroxy-12,13-epoxytrichothec-9-en-8-one

Molecular FormulaC17H22O7

Molecular Weight338.35

Purity

Density1.4±0.1 g/cm3

Boiling Point529.8±50.0 °C at 760 mmHg

Melting Point185.75°C

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol6.1(a)

Signal WordWarning

Cat. No.: 2A-1177714 Purity:
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Quality Control of [ 50722-38-8 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number50722-38-8
Catalog No.2A-1177714
Chinese Name3-乙酰脱氧瓜萎镰菌醇
SynonymsMFCD00135964; 3-acetyldeoxynivalenol; (2α,3β,5α,6β,7β,11β,12ξ)-3-Acetyl-7,15-dihydroxy-12,13-epoxytrichothec-9-en-8-one
Molecular FormulaC17H22O7
Molecular Weight338.35
Density1.4±0.1 g/cm3
Boiling Point529.8±50.0 °C at 760 mmHg
Melting Point185.75°C
Appearancepowder
Storage ConditionKeep the container sealed and stored in a cool, dr
PackagingI
Application3-Acetyldeoxynivalenol, an acetylated derivative of the trichothecene mycotoxin deoxynivalenol (DON), is a blood-brain barrier (BBB) ​​permeable mycotoxin.
PubChem ID24891062
MDL NumberMFCD00135964
SMILES[H][C@]12O[C@]3([H])[C@@H](C[C@@](C)([C@]34CO4)[C@@]1(CO)[C@H](O)C(=O)C(C)=C2)OC(C)=O
InChI1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1
InChI KeyADFIQZBYNGPCGY-HTJQZXIKSA-N
NACRES CodeNA.77
UNSPSC12352200
Hazard Symbols6.1(a)
Bioactivity3-Acetyldeoxynivalenol, a trichothecene mycotoxin deoxynivalenol (DON) acetylated derivative[1], is a blood-brain barrier (BBB) permeable mycotoxin[2]. Related Catalog Research Areas >> Cardiovascular Disease Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Kadota T, et al. Comparative study of deoxynivalenol, 3-acetyldeoxynivalenol, and 15-acetyldeoxynivalenolon intestinal transport and IL-8 secretion in the human cell line Caco-2. Toxicol In Vitro. 2013 Sep;27(6):1888-95. [2]. Behrens M, et al. Blood-Brain Barrier Effects of the Fusarium Mycotoxins Deoxynivalenol, 3Acetyldeoxynivalenol, and Moniliformin and Their Transfer to the Brain. PLoS One. 2015 Nov 23;10(11):e0143640. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 529.8±50.0 °C at 760 mmHg Melting Point 185.75°C Molecular Formula C17H22O7 Molecular Weight 322.353 Flash Point 195.2±23.6 °C Exact Mass 322.141632 PSA 96.36000 LogP -0.85 Vapour Pressure 0.0±3.2 mmHg at 25°C Index of Refraction 1.598 InChIKey ADFIQZBYNGPCGY-HTJQZXIKSA-N SMILES CC(=O)OC1CC2(C)C3(CO3)C1OC1C=C(C)C(=O)C(O)C12CO
Use of3-Acetyldeoxynivalenol, a trichothecene mycotoxin deoxynivalenol (DON) acetylated derivative[1], is a blood-brain barrier (BBB) permeable mycotoxin[2]. Properties Articles39 Name 3-Acetyldeoxynivalenol Synonym More Synonyms Biological Activity Description 3-Acetyldeoxynivalenol, a trichothecene mycotoxin deoxynivalenol (DON) acetylated derivative[1], is a blood-brain barrier (BBB) permeable mycotoxin[2]. Related Catalog Research Areas >> Cardiovascular Disease Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Kadota T, et al. Comparative study of deoxynivalenol, 3-acetyldeoxynivalenol, and 15-acetyldeoxynivalenolon intestinal transport and IL-8 secretion in the human cell line Caco-2. Toxicol In Vitro. 2013 Sep;27(6):1888-95. [2]. Behrens M, et al. Blood-Brain Barrier Effects of the Fusarium Mycotoxins Deoxynivalenol, 3Acetyldeoxynivalenol, and Moniliformin and Their Transfer to the Brain. PLoS One. 2015 Nov 23;10(11):e0143640. Chemical & Physical Properties Molecular Formula C17H22O7 Exact Mass 322.141632 PSA 96.36000 LogP -0.85 Index of Refraction 1.598 InChIKey ADFIQZBYNGPCGY-HTJQZXIKSA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 1648 International Maritime Transport Danger Regulations: 1648 International Air Transport Danger Regulations: 1648 14.2 United Nations shipping name European land transport hazard code: ACETONITRILE, solution IMDG Code: ACETONITRILE, solution IMDG: Acetonitrile, solution 14.3 Transport hazard categories European land transport Dangerous Regulations: 3 International sea transport Dangerous Regulations: 3 International air transport Dangerous Regulations: 3 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II
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