CALCIUM ELENOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C11H13O6.Ca
Molecular Weight	522.513
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].COC(=O)C1=CO[C@@H](C)[C@@H](C=O)[C@@H]1CC([O-])=O.COC(=O)C2=CO[C@@H](C)[C@@H](C=O)[C@@H]2CC([O-])=O

InChI

InChIKey=LXHSHPBNTMXMPF-RKLWNDDOSA-L

InChI=1S/2C11H14O6.Ca/c2*1-6-8(4-12)7(3-10(13)14)9(5-17-6)11(15)16-2;/h2*4-8H,3H2,1-2H3,(H,13,14);/q;;+2/p-2/t2*6-,7-,8+;/m00./s1

HIDE SMILES / InChI

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

Molecular Formula	C11H13O6
Molecular Weight	241.2173
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:21:24 GMT 2023` Edited by `admin` on `Fri Dec 15 15:21:24 GMT 2023`
Record UNII	WLJ7IN8JIL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CALCIUM ELENOATE

Common Name

English

2H-PYRAN-4-ACETIC ACID, 3-FORMYL-3,4-DIHYDRO-5-(METHOXYCARBONYL)-2-METHYL-, CALCIUM SALT (2:1), (2S,3S,4S)-

Systematic Name

English

2H-PYRAN-4-ACETIC ACID, 3-FORMYL-3,4-DIHYDRO-5-(METHOXYCARBONYL)-2-METHYL-, CALCIUM SALT (2:1), (2S-(2.ALPHA.,3.ALPHA.,4.BETA.))-

Systematic Name

English

Code System Code Type Description

CAS

34421-75-5

Created by admin on Fri Dec 15 15:21:24 GMT 2023 , Edited by admin on Fri Dec 15 15:21:24 GMT 2023

PRIMARY

FDA UNII

WLJ7IN8JIL

Created by admin on Fri Dec 15 15:21:24 GMT 2023 , Edited by admin on Fri Dec 15 15:21:24 GMT 2023

PRIMARY

PUBCHEM

133082667

Created by admin on Fri Dec 15 15:21:24 GMT 2023 , Edited by admin on Fri Dec 15 15:21:24 GMT 2023

PRIMARY

EPA CompTox

DTXSID40955969

Created by admin on Fri Dec 15 15:21:24 GMT 2023 , Edited by admin on Fri Dec 15 15:21:24 GMT 2023

PRIMARY

Related Record Type Details


					5C9M8PFI8E

ELENOLIC ACID

PARENT -> SALT/SOLVATE