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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22O6
Molecular Weight 322.353
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ACETOXY-15-HYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE, (3ALPHA)-

SMILES

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

InChI

InChIKey=SZLJBLLFBMSKCE-KWRZAIAESA-N
InChI=1S/C17H22O6/c1-9-4-13-16(7-18,5-11(9)20)15(3)6-12(22-10(2)19)14(23-13)17(15)8-21-17/h4,12-14,18H,5-8H2,1-3H3/t12-,13-,14-,15-,16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H22O6
Molecular Weight 322.353
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:05:04 GMT 2023
Edited
by admin
on Sat Dec 16 10:05:04 GMT 2023
Record UNII
A812H3V4PT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ACETOXY-15-HYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE, (3ALPHA)-
Common Name English
TRICHOTHEC-9-EN-8-ONE, 3-(ACETYLOXY)-12,13-EPOXY-15-HYDROXY-, (3.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
91632-02-9
Created by admin on Sat Dec 16 10:05:04 GMT 2023 , Edited by admin on Sat Dec 16 10:05:04 GMT 2023
PRIMARY
PUBCHEM
122173977
Created by admin on Sat Dec 16 10:05:04 GMT 2023 , Edited by admin on Sat Dec 16 10:05:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID80919621
Created by admin on Sat Dec 16 10:05:04 GMT 2023 , Edited by admin on Sat Dec 16 10:05:04 GMT 2023
PRIMARY
FDA UNII
A812H3V4PT
Created by admin on Sat Dec 16 10:05:04 GMT 2023 , Edited by admin on Sat Dec 16 10:05:04 GMT 2023
PRIMARY