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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C18H33O3.Ca
Molecular Weight 634.984
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Calcium ricinoleate

SMILES

[Ca++].CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O.CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O

InChI

InChIKey=PIBVKAIHEACFIN-GNNYBVKZSA-L
InChI=1S/2C18H34O3.Ca/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2/b2*12-9-;/t2*17-;/m11./s1

HIDE SMILES / InChI

Molecular Formula C18H33O3
Molecular Weight 297.4528
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:05:15 GMT 2023
Edited
by admin
on Sat Dec 16 10:05:15 GMT 2023
Record UNII
X96M4UE2NZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Calcium ricinoleate
Common Name English
9-Octadecenoic acid, 12-hydroxy-, calcium salt (2:1), (9Z,12R)-
Systematic Name English
Ricinoleic acid, calcium salt (2:1)
Common Name English
Code System Code Type Description
PUBCHEM
6436347
Created by admin on Sat Dec 16 10:05:16 GMT 2023 , Edited by admin on Sat Dec 16 10:05:16 GMT 2023
PRIMARY
CAS
31983-33-2
Created by admin on Sat Dec 16 10:05:16 GMT 2023 , Edited by admin on Sat Dec 16 10:05:16 GMT 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
X96M4UE2NZ
Created by admin on Sat Dec 16 10:05:16 GMT 2023 , Edited by admin on Sat Dec 16 10:05:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID301014673
Created by admin on Sat Dec 16 10:05:16 GMT 2023 , Edited by admin on Sat Dec 16 10:05:16 GMT 2023
PRIMARY
CAS
6865-33-4
Created by admin on Sat Dec 16 10:05:16 GMT 2023 , Edited by admin on Sat Dec 16 10:05:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE