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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26O8
Molecular Weight 382.4049
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NT-1 TOXIN

SMILES

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

InChI

InChIKey=UROCTWOJYLMRHO-WVJYZQHISA-N
InChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17+,18+,19-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NT-1 TOXIN
Common Name English
ISONEOSOLANIOL
Common Name English
TRICHOTHEC-9-ENE-3,4,8,15-TETROL, 12,13-EPOXY-, 4,8-DIACETATE, (3.ALPHA.,4.BETA.,8.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
163078
Created by admin on Sat Dec 16 06:43:24 GMT 2023 , Edited by admin on Sat Dec 16 06:43:24 GMT 2023
PRIMARY
FDA UNII
GXO6938TH1
Created by admin on Sat Dec 16 06:43:24 GMT 2023 , Edited by admin on Sat Dec 16 06:43:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID30983756
Created by admin on Sat Dec 16 06:43:24 GMT 2023 , Edited by admin on Sat Dec 16 06:43:24 GMT 2023
PRIMARY
CAS
65180-29-2
Created by admin on Sat Dec 16 06:43:24 GMT 2023 , Edited by admin on Sat Dec 16 06:43:24 GMT 2023
PRIMARY