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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H30O4
Molecular Weight 322.4391
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CYCLOHEXYLGERANYLMALONIC ACID

SMILES

CC(C)=CCC\C(C)=C\CC(C1CCCCC1)(C(O)=O)C(O)=O

InChI

InChIKey=RWZTZYGOHTYHLY-NTCAYCPXSA-N
InChI=1S/C19H30O4/c1-14(2)8-7-9-15(3)12-13-19(17(20)21,18(22)23)16-10-5-4-6-11-16/h8,12,16H,4-7,9-11,13H2,1-3H3,(H,20,21)(H,22,23)/b15-12+

HIDE SMILES / InChI

Molecular Formula C19H30O4
Molecular Weight 322.4391
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:15:25 GMT 2023
Edited
by admin
on Fri Dec 15 15:15:25 GMT 2023
Record UNII
BX2471PWT0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOHEXYLGERANYLMALONIC ACID
Systematic Name English
PROPANEDIOIC ACID, CYCLOHEXYL(3,7-DIMETHYL-2,6-OCTADIENYL)-, (E)-
Systematic Name English
Code System Code Type Description
CAS
69381-99-3
Created by admin on Fri Dec 15 15:15:25 GMT 2023 , Edited by admin on Fri Dec 15 15:15:25 GMT 2023
PRIMARY
PUBCHEM
6443611
Created by admin on Fri Dec 15 15:15:25 GMT 2023 , Edited by admin on Fri Dec 15 15:15:25 GMT 2023
PRIMARY
FDA UNII
BX2471PWT0
Created by admin on Fri Dec 15 15:15:25 GMT 2023 , Edited by admin on Fri Dec 15 15:15:25 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY