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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H24O7
Molecular Weight 340.3683
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NT-2 TOXIN

SMILES

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

InChI

InChIKey=CSYVMZMEBKUDRQ-BNWDXEGFSA-N
InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H24O7
Molecular Weight 340.3683
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:22:26 GMT 2023
Edited
by admin
on Sat Dec 16 10:22:26 GMT 2023
Record UNII
HNK31T59RQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NT-2 TOXIN
Common Name English
4-ACETOXY T-2 TETRAOL
Common Name English
15-DEACETYLNEOSOLANIOL
Common Name English
TRICHOTHEC-9-ENE-3,4,8,15-TETROL, 12,13-EPOXY-, 4-ACETATE, (3.ALPHA.,4.BETA.,8.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
14274910
Created by admin on Sat Dec 16 10:22:26 GMT 2023 , Edited by admin on Sat Dec 16 10:22:26 GMT 2023
PRIMARY
FDA UNII
HNK31T59RQ
Created by admin on Sat Dec 16 10:22:26 GMT 2023 , Edited by admin on Sat Dec 16 10:22:26 GMT 2023
PRIMARY
CAS
76348-84-0
Created by admin on Sat Dec 16 10:22:26 GMT 2023 , Edited by admin on Sat Dec 16 10:22:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID10997710
Created by admin on Sat Dec 16 10:22:26 GMT 2023 , Edited by admin on Sat Dec 16 10:22:26 GMT 2023
PRIMARY