U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C14H18O4
Molecular Weight 250.2903
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of VERTINOLIDE, (±)-

SMILES

C\C=C\C=C\C(=O)CCC1(C)OC(=O)C(C)=C1O

InChI

InChIKey=GQFGVUPBODCMSV-YTXTXJHMSA-N
InChI=1S/C14H18O4/c1-4-5-6-7-11(15)8-9-14(3)12(16)10(2)13(17)18-14/h4-7,16H,8-9H2,1-3H3/b5-4+,7-6+

HIDE SMILES / InChI

Molecular Formula C14H18O4
Molecular Weight 250.2903
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 2
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:48:30 GMT 2023
Edited
by admin
on Fri Dec 15 18:48:30 GMT 2023
Record UNII
N5A2U3Y245
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VERTINOLIDE, (±)-
Common Name English
2(5H)-FURANONE, 4-HYDROXY-3,5-DIMETHYL-5-(3-OXO-4,6-OCTADIENYL)-, (E,E)-(±)-
Systematic Name English
(±)-VERTINOLIDE
Common Name English
2(5H)-FURANONE, 4-HYDROXY-3,5-DIMETHYL-5-((4E,6E)-3-OXO-4,6-OCTADIENYL)-
Systematic Name English
(5H)-FURANONE, 4-HYDROXY-3,5-DIMETHYL-5-((4E,6E)-3-OXO-4,6-OCTADIEN-1-YL)-
Systematic Name English
2(5H)-FURANONE, 4-HYDROXY-3,5-DIMETHYL-5-(3-OXO-4,6-OCTADIENYL)-, (E,E)-
Common Name English
Code System Code Type Description
CAS
906433-29-2
Created by admin on Fri Dec 15 18:48:30 GMT 2023 , Edited by admin on Fri Dec 15 18:48:30 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
91878-39-6
Created by admin on Fri Dec 15 18:48:30 GMT 2023 , Edited by admin on Fri Dec 15 18:48:30 GMT 2023
PRIMARY
PUBCHEM
54686508
Created by admin on Fri Dec 15 18:48:30 GMT 2023 , Edited by admin on Fri Dec 15 18:48:30 GMT 2023
PRIMARY
FDA UNII
N5A2U3Y245
Created by admin on Fri Dec 15 18:48:30 GMT 2023 , Edited by admin on Fri Dec 15 18:48:30 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE