T-2-Triol standard solution - analytical standard, 100 ug/ml , CAS No.34114-98-2

CAS: 34114-98-2 Cat. No.: T139810 Molecular Weight: 382.4 EC Number: 621-636-0 PubChem CID: 13797589

GRADE & PURITY Analytical standard, 100 ug/ml

Synonyms

Toxin T-2 triol | Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 8-isovalerate | T-2 triol | J-019454 | Deacetyl-HT-2 toxin | AKOS027263660 | T2 Toxin Triol | T-2 Toxin Triol | (2R,2'S,3R,4S,5S,5AR,7S,9aR)-3,4-dihydroxy-5a-(hydroxymethyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

T2-triol is a type-A trichothecene mycotoxin that occurs in nature

Specifications

Synonyms

Toxin T-2 triol | Trichothec-9-ene-3-alpha, 4-beta, 8-alpha, 15-tetrol, 12, 13-epoxy-, 8-isovalerate | T-2 triol | J-019454 | Deacetyl-HT-2 toxin | AKOS027263660 | T2 Toxin Triol | T-2 Toxin Triol | (2R, 2'S, 3R, 4S, 5S, 5AR, 7S, 9aR)-3, 4-dihydroxy-5a-(hydroxymethyl

Specifications & Purity

analytical standard, 100 ug/ml

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)CO
• IUPAC Name: [(1S,2R,4S,7R,9R,10R,11S,12S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
• InChIKey: DDAUKBBLCGQHIP-CAVDVMKYSA-N
• INCHI: 1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3/t12-,13+,15+,16+,17+,18+,19+,20-/m0/s1
• Isomeric SMILES: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO
• WGK Germany: 2
• PubChem CID: 13797589
• Molecular Weight: 382.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Trichothecenes
• Alternative Parents: Oxepanes Fatty acid esters Oxanes Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Trichothecene skeleton - Fatty acid ester - Oxepane - Oxane - Fatty acyl - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Alcohol - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Saccharomyces cerevisiae (19171 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive
• Melt Point(°C): 162°C
• Molecular Weight: 382.400 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 382.199 Da
• Monoisotopic Mass: 382.199 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 675.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1