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Details

Stereochemistry RACEMIC
Molecular Formula C18H32O3
Molecular Weight 296.4449
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of VERNOLIC ACID, CIS-(±)-

SMILES

CCCCC[C@H]1O[C@H]1C\C=C/CCCCCCCC(O)=O

InChI

InChIKey=CCPPLLJZDQAOHD-GJGKEFFFSA-N
InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H32O3
Molecular Weight 296.4449
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:38:44 GMT 2023
Edited
by admin
on Fri Dec 15 20:38:44 GMT 2023
Record UNII
4S5JF40ZOQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VERNOLIC ACID, CIS-(±)-
Common Name English
9-UNDECENOIC ACID, 11-(3-PENTYLOXIRANYL)-, (2.ALPHA.(Z),3.ALPHA.)-
Common Name English
9-UNDECENOIC ACID, 11-((2R,3S)-3-PENTYL-2-OXIRANYL)-, (9Z)-REL-
Common Name English
ISOLEUKOTOXIN
Common Name English
LEUKOTOXIN B
Common Name English
CIS-12,13-EPOXYOLEIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
6449780
Created by admin on Fri Dec 15 20:38:44 GMT 2023 , Edited by admin on Fri Dec 15 20:38:44 GMT 2023
PRIMARY
CAS
126639-26-7
Created by admin on Fri Dec 15 20:38:44 GMT 2023 , Edited by admin on Fri Dec 15 20:38:44 GMT 2023
ALTERNATIVE
CHEBI
72665
Created by admin on Fri Dec 15 20:38:44 GMT 2023 , Edited by admin on Fri Dec 15 20:38:44 GMT 2023
PRIMARY
FDA UNII
4S5JF40ZOQ
Created by admin on Fri Dec 15 20:38:44 GMT 2023 , Edited by admin on Fri Dec 15 20:38:44 GMT 2023
PRIMARY
CAS
17966-13-1
Created by admin on Fri Dec 15 20:38:44 GMT 2023 , Edited by admin on Fri Dec 15 20:38:44 GMT 2023
PRIMARY