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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-HYDROXY-4-METHOXYPHENYL)-2,2-DIMETHYL-4-PENTENE-1,3-DIOL

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
5-(3-HYDROXY-4-METHOXYPHENYL)-2,2-DIMETHYL-4-PENTENE-1,3-DIOL
Systematic Name English
STIRIPENTOL METABOLITE VII
Common Name English
4-PENTENE-1,3-DIOL, 5-(3-HYDROXY-4-METHOXYPHENYL)-2,2-DIMETHYL-
Systematic Name English
(E)-5-(3-HYDROXY-4-METHOXYPHENYL)-2,2-DIMETHYLPENT-4-ENE-1,3-DIOL
Systematic Name English
Code System Code Type Description
FDA UNII
VE8986583K
Created by admin on Sat Dec 16 19:03:50 GMT 2023 , Edited by admin on Sat Dec 16 19:03:50 GMT 2023
PRIMARY
PUBCHEM
156596403
Created by admin on Sat Dec 16 19:03:50 GMT 2023 , Edited by admin on Sat Dec 16 19:03:50 GMT 2023
PRIMARY
CAS
106174-94-1
Created by admin on Sat Dec 16 19:03:50 GMT 2023 , Edited by admin on Sat Dec 16 19:03:50 GMT 2023
PRIMARY
PARENT (METABOLITE INACTIVE)
Structure of STIRIPENTOL
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