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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32O9
Molecular Weight 440.4841
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-HYDROXY HT-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]1O)[C@]24CO4)OC(=O)CC(C)(C)O

InChI

InChIKey=OJBCMLLFVXXDGS-QDSVCGCGSA-N
InChI=1S/C22H32O9/c1-11-6-14-21(9-28-12(2)23,7-13(11)30-15(24)8-19(3,4)27)20(5)17(26)16(25)18(31-14)22(20)10-29-22/h6,13-14,16-18,25-27H,7-10H2,1-5H3/t13-,14+,16+,17+,18+,20+,21+,22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3'-HYDROXY HT-2 TOXIN
Common Name English
TC3 TOXIN
Common Name English
TRICHOTHEC-9-ENE-3,4,8,15-TETROL, 12,13-EPOXY-, 15-ACETATE 8-(3-HYDROXY-3-METHYLBUTANOATE), (3.ALPHA.,4.BETA.,8.ALPHA.)-
Systematic Name English
3'-HYDROXY-TOXIN HT-2
Common Name English
TC 3
Common Name English
Code System Code Type Description
CAS
78368-54-4
Created by admin on Sat Dec 16 12:33:24 GMT 2023 , Edited by admin on Sat Dec 16 12:33:24 GMT 2023
PRIMARY
PUBCHEM
44559327
Created by admin on Sat Dec 16 12:33:24 GMT 2023 , Edited by admin on Sat Dec 16 12:33:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID80999701
Created by admin on Sat Dec 16 12:33:24 GMT 2023 , Edited by admin on Sat Dec 16 12:33:24 GMT 2023
PRIMARY
FDA UNII
NAE258M59Q
Created by admin on Sat Dec 16 12:33:24 GMT 2023 , Edited by admin on Sat Dec 16 12:33:24 GMT 2023
PRIMARY