Calcium ricinoleate

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 Search

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 UTC 2023` Edited by `admin` on `Sat Dec 16 10:05:15 UTC 2023`
Record UNII	X96M4UE2NZ
Record Status	`Validated (UNII)`
Record Version

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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