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Chemical structure of T-2 Triol

GC44982

T-2 Triol

Also known as [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

T-2 Triol is a group A trichothecene mycotoxin derived by the metabolism of T-2 toxin

ChemicalCAS34114-98-2MW382.5FormulaC20H30O7
CAS number
34114-98-2
Molecular weight
382.5
Formula
C20H30O7
Solubility
Dichloromethane： 10 mg/ml
InChIKey
DDAUKBBLCGQHIP-UHFFFAOYSA-N
Catalogue number
GC44982
Brand
GLPBIO
Computed properties PubChem CID 608974 · XLogP -0.2 · TPSA 109 Ų · H-bond donors 3
XLogP
-0.2
TPSA
109 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27

SMILES CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)CO

Computed descriptors from PubChem (CID 608974), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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