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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22O5
Molecular Weight 306.3536
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(ACETYLOXY)-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE, (3.ALPHA.)-

SMILES

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

InChI

InChIKey=LZIKLPMPLBZXHW-IKIFYQGPSA-N
InChI=1S/C17H22O5/c1-9-5-13-15(3,6-11(9)19)16(4)7-12(21-10(2)18)14(22-13)17(16)8-20-17/h5,12-14H,6-8H2,1-4H3/t12-,13-,14-,15+,16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H22O5
Molecular Weight 306.3536
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 14:30:16 GMT 2023
Edited
by admin
on Sat Dec 16 14:30:16 GMT 2023
Record UNII
1KB43UNX0H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(ACETYLOXY)-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE, (3.ALPHA.)-
Systematic Name English
TRICHOTHEC-9-EN-8-ONE, 3-(ACETYLOXY)-12,13-EPOXY-, (3.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
109802-15-5
Created by admin on Sat Dec 16 14:30:16 GMT 2023 , Edited by admin on Sat Dec 16 14:30:16 GMT 2023
PRIMARY
PUBCHEM
87891416
Created by admin on Sat Dec 16 14:30:16 GMT 2023 , Edited by admin on Sat Dec 16 14:30:16 GMT 2023
PRIMARY
FDA UNII
1KB43UNX0H
Created by admin on Sat Dec 16 14:30:16 GMT 2023 , Edited by admin on Sat Dec 16 14:30:16 GMT 2023
PRIMARY