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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H34O9
Molecular Weight 466.5214
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISO-T-2 TOXIN

SMILES

[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](O)[C@H]1OC(C)=O)[C@]24CO4)OC(=O)CC(C)C

InChI

InChIKey=SBEUAAIAYCUUJR-QYWOHJEZSA-N
InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(31-15(5)26)20(28)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISO-T-2 TOXIN
Common Name English
TRICHOTHEC-9-ENE-3,4,8,15-TETROL, 12,13-EPOXY-, 3,15-DIACETATE 8-(3-METHYLBUTANOATE), (3.ALPHA.,4.BETA.,8.ALPHA.)-
Systematic Name English
TRICHOTHEC-9-ENE-3.ALPHA.,4.BETA.,8.ALPHA.,15-TETROL, 12,13-EPOXY-, 3,15-DIACETATE 8-ISOVALERATE
Systematic Name English
Code System Code Type Description
PUBCHEM
14009388
Created by admin on Sat Dec 16 08:28:50 GMT 2023 , Edited by admin on Sat Dec 16 08:28:50 GMT 2023
PRIMARY
FDA UNII
XWD55652JC
Created by admin on Sat Dec 16 08:28:50 GMT 2023 , Edited by admin on Sat Dec 16 08:28:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID50955637
Created by admin on Sat Dec 16 08:28:50 GMT 2023 , Edited by admin on Sat Dec 16 08:28:50 GMT 2023
PRIMARY
CAS
34084-03-2
Created by admin on Sat Dec 16 08:28:50 GMT 2023 , Edited by admin on Sat Dec 16 08:28:50 GMT 2023
PRIMARY