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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H22O5
Molecular Weight 270.3215
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-O-(Diethylmethylidene) Shikimic Acid Ethyl Ester

SMILES

CCOC(=O)C1=C[C@H]2OC(CC)(CC)O[C@H]2[C@H](O)C1

InChI

InChIKey=UPBCFJGUCHGYAN-UTUOFQBUSA-N
InChI=1S/C14H22O5/c1-4-14(5-2)18-11-8-9(13(16)17-6-3)7-10(15)12(11)19-14/h8,10-12,15H,4-7H2,1-3H3/t10-,11-,12+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Oseltamivir Impurity 81
Preferred Name English
3,4-O-(Diethylmethylidene) Shikimic Acid Ethyl Ester
Common Name English
(3aR,7R,7aS)-ethyl 2,2-diethyl-7-hydroxy-3a,6,7,7a-tetrahydrobenzo[d][1,3]dioxole-5-carboxylate
Systematic Name English
Ethyl (3aR,7R,7aS)-2,2-diethyl-3a,6,7,7a-tetrahydro-7-hydroxy-1,3-benzodioxole-5-carboxylate
Systematic Name English
1,3-Benzodioxole-5-carboxylic acid, 2,2-diethyl-3a,6,7,7a-tetrahydro-7-hydroxy-, ethyl ester, (3aR,7R,7aS)-
Systematic Name English
Code System Code Type Description
FDA UNII
VRK68QU8Q2
Created by admin on Wed Apr 02 18:07:02 GMT 2025 , Edited by admin on Wed Apr 02 18:07:02 GMT 2025
PRIMARY
CAS
943515-58-0
Created by admin on Wed Apr 02 18:07:02 GMT 2025 , Edited by admin on Wed Apr 02 18:07:02 GMT 2025
PRIMARY
PUBCHEM
56934800
Created by admin on Wed Apr 02 18:07:02 GMT 2025 , Edited by admin on Wed Apr 02 18:07:02 GMT 2025
PRIMARY
NIH
NCATS
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