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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36O9
Molecular Weight 480.5479
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HT-2 TOXIN 4-PROPANOATE

SMILES

CCC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)[C@H](C[C@]3(COC(C)=O)[C@]1(C)[C@]24CO4)OC(=O)CC(C)C

InChI

InChIKey=HHSVPRXLNYVHLR-GTTPHZHMSA-N
InChI=1S/C25H36O9/c1-7-18(27)34-21-20(29)22-25(12-31-25)23(21,6)24(11-30-15(5)26)10-16(14(4)9-17(24)33-22)32-19(28)8-13(2)3/h9,13,16-17,20-22,29H,7-8,10-12H2,1-6H3/t16-,17+,20+,21+,22+,23+,24+,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
HT-2 TOXIN 4-PROPANOATE
Common Name English
TRICHOTHEC-9-ENE-3,4,8,15-TETROL, 12,13-EPOXY-, 15-ACETATE 8-(3-METHYLBUTANOATE) 4-PROPANOATE, (3.ALPHA.,4.ALPHA.,8.ALPHA.)-
Preferred Name English
Code System Code Type Description
CAS
104903-80-2
Created by admin on Tue Apr 01 18:29:26 GMT 2025 , Edited by admin on Tue Apr 01 18:29:26 GMT 2025
PRIMARY
PUBCHEM
122201229
Created by admin on Tue Apr 01 18:29:26 GMT 2025 , Edited by admin on Tue Apr 01 18:29:26 GMT 2025
PRIMARY
FDA UNII
P6FZ56843Z
Created by admin on Tue Apr 01 18:29:26 GMT 2025 , Edited by admin on Tue Apr 01 18:29:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID001110064
Created by admin on Tue Apr 01 18:29:26 GMT 2025 , Edited by admin on Tue Apr 01 18:29:26 GMT 2025
PRIMARY