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Details

Stereochemistry RACEMIC
Molecular Formula C12H12O5
Molecular Weight 236.2207
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1'-ACETOXY-2',3'-EPOXYSAFROLE, (R,R)-(±)-

SMILES

[H][C@@]1(CO1)[C@H](OC(C)=O)C2=CC=C3OCOC3=C2

InChI

InChIKey=JFSMDGVYNUEECN-VXGBXAGGSA-N
InChI=1S/C12H12O5/c1-7(13)17-12(11-5-14-11)8-2-3-9-10(4-8)16-6-15-9/h2-4,11-12H,5-6H2,1H3/t11-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H12O5
Molecular Weight 236.2207
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:10:31 GMT 2023
Edited
by admin
on Sat Dec 16 12:10:31 GMT 2023
Record UNII
57U491GH9Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1'-ACETOXY-2',3'-EPOXYSAFROLE, (R,R)-(±)-
Common Name English
1,3-BENZODIOXOLE-5-METHANOL, .ALPHA.-2-OXIRANYL-, 5-ACETATE, (R,R)-REL-
Systematic Name English
Code System Code Type Description
PUBCHEM
121488185
Created by admin on Sat Dec 16 12:10:31 GMT 2023 , Edited by admin on Sat Dec 16 12:10:31 GMT 2023
PRIMARY
FDA UNII
57U491GH9Q
Created by admin on Sat Dec 16 12:10:31 GMT 2023 , Edited by admin on Sat Dec 16 12:10:31 GMT 2023
PRIMARY