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Details

Stereochemistry RACEMIC
Molecular Formula C14H20O4
Molecular Weight 252.3062
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-(3-METHOXY-4-HYDROXYPHENYL)-2,2-DIMETHYL-4-PENTENE-1,3-DIOL

SMILES

COC1=C(O)C=CC(\C=C\C(O)C(C)(C)CO)=C1

InChI

InChIKey=JDIIPWIMNKCTKV-FNORWQNLSA-N
InChI=1S/C14H20O4/c1-14(2,9-15)13(17)7-5-10-4-6-11(16)12(8-10)18-3/h4-8,13,15-17H,9H2,1-3H3/b7-5+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
5-(3-METHOXY-4-HYDROXYPHENYL)-2,2-DIMETHYL-4-PENTENE-1,3-DIOL
Systematic Name English
(E)-5-(4-HYDROXY-3-METHOXYPHENYL)-2,2-DIMETHYLPENT-4-ENE-1,3-DIOL
Systematic Name English
STIRIPENTOL METABOLITE VIII
Common Name English
4-PENTENE-1,3-DIOL, 5-(4-HYDROXY-3-METHOXYPHENYL)-2,2-DIMETHYL-
Systematic Name English
Code System Code Type Description
CAS
106199-10-4
Created by admin on Sat Dec 16 19:04:25 GMT 2023 , Edited by admin on Sat Dec 16 19:04:25 GMT 2023
PRIMARY
FDA UNII
3J8Q4F3HH4
Created by admin on Sat Dec 16 19:04:25 GMT 2023 , Edited by admin on Sat Dec 16 19:04:25 GMT 2023
PRIMARY
PUBCHEM
156596451
Created by admin on Sat Dec 16 19:04:25 GMT 2023 , Edited by admin on Sat Dec 16 19:04:25 GMT 2023
PRIMARY
PARENT (METABOLITE INACTIVE)
Structure of STIRIPENTOL
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