U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H26O9
Molecular Weight 422.4257
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEOXYNIVALENOL TRIACETATE

SMILES

CC(=O)OC[C@]12[C@H](O[C@@H]3[C@@H](C[C@@]1(C)[C@]34CO4)OC(C)=O)C=C(C)C(=O)[C@H]2OC(C)=O

InChI

InChIKey=FUPMDISLTMETBI-BVSSFOLZSA-N
InChI=1S/C21H26O9/c1-10-6-15-20(8-26-11(2)22,18(16(10)25)29-13(4)24)19(5)7-14(28-12(3)23)17(30-15)21(19)9-27-21/h6,14-15,17-18H,7-9H2,1-5H3/t14-,15-,17-,18-,19-,20-,21+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DEOXYNIVALENOL TRIACETATE
Common Name English
NSC-269145
Preferred Name English
VOMITOXIN TRIACETATE
Common Name English
TRICHOTHEC-9-EN-8-ONE, 3,7,15-TRIS(ACETYLOXY)-12,13-EPOXY-, (3.ALPHA.,7.ALPHA.)-
Systematic Name English
TRIACETYLDEOXYNIVALENOL
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50965877
Created by admin on Tue Apr 01 16:52:50 GMT 2025 , Edited by admin on Tue Apr 01 16:52:50 GMT 2025
PRIMARY
NSC
269145
Created by admin on Tue Apr 01 16:52:50 GMT 2025 , Edited by admin on Tue Apr 01 16:52:50 GMT 2025
PRIMARY
PUBCHEM
13816975
Created by admin on Tue Apr 01 16:52:50 GMT 2025 , Edited by admin on Tue Apr 01 16:52:50 GMT 2025
PRIMARY
FDA UNII
6L95R130ZZ
Created by admin on Tue Apr 01 16:52:50 GMT 2025 , Edited by admin on Tue Apr 01 16:52:50 GMT 2025
PRIMARY
CAS
51550-28-8
Created by admin on Tue Apr 01 16:52:50 GMT 2025 , Edited by admin on Tue Apr 01 16:52:50 GMT 2025
PRIMARY