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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30O10
Molecular Weight 469.4968
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7,7,8-TRIDEUTERIONEOSOLANIOL DIACETATE

SMILES

[H][C@@]12O[C@]3([H])C=C(C)[C@@]([2H])(OC(C)=O)C([2H])([2H])[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1OC(C)=O)[C@]24CO4

InChI

InChIKey=GSLBJZJTYRGQOS-KJGPIUMUSA-N
InChI=1S/C23H30O10/c1-11-7-17-22(9-28-12(2)24,8-16(11)30-13(3)25)21(6)19(32-15(5)27)18(31-14(4)26)20(33-17)23(21)10-29-23/h7,16-20H,8-10H2,1-6H3/t16-,17+,18+,19+,20+,21+,22+,23-/m0/s1/i8D2,16D

HIDE SMILES / InChI

Molecular Formula C23H30O10
Molecular Weight 469.4968
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 14:08:09 GMT 2023
Edited
by admin
on Sat Dec 16 14:08:09 GMT 2023
Record UNII
WVW3K98SGZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7,7,8-TRIDEUTERIONEOSOLANIOL DIACETATE
Common Name English
TRICHOTHEC-9-ENE-7,7,8-D3-3,4,8,15-TETROL, 12,13-EPOXY-, TETRAACETATE, (3.ALPHA.,4.BETA.,8.ALPHA.)-
Common Name English
7,7,8-TRIDEUTERIO TOXIN T-2 TETRAOL TETRAACETATE
Common Name English
7,7,8-TRIDEUTERIODIACETYLNEOSOLANIOL
Common Name English
Code System Code Type Description
CAS
112818-29-8
Created by admin on Sat Dec 16 14:08:09 GMT 2023 , Edited by admin on Sat Dec 16 14:08:09 GMT 2023
PRIMARY
FDA UNII
WVW3K98SGZ
Created by admin on Sat Dec 16 14:08:09 GMT 2023 , Edited by admin on Sat Dec 16 14:08:09 GMT 2023
PRIMARY
PUBCHEM
13992159
Created by admin on Sat Dec 16 14:08:09 GMT 2023 , Edited by admin on Sat Dec 16 14:08:09 GMT 2023
PRIMARY