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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H8O2
Molecular Weight 112.1265
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Parasorbic acid

SMILES

C[C@H]1CC=CC(=O)O1

InChI

InChIKey=DYNKRGCMLGUEMN-YFKPBYRVSA-N
InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3/t5-/m0/s1

HIDE SMILES / InChI

Description

PARASORBIC ACID, a cyclic lactone of sorbic acid, was isolated from ripe berries of mountain ash (Sorbus aucuparia). It produced local sarcomas being administered by subcutaneous injection to rats.

Approval Year

Sample Use Guides

In Vivo Use Guide
LD50 in mice (mg/kg): 420+/-6.3 IP; 195+/-13.6 IV
Route of Administration: Other