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Details

Stereochemistry RACEMIC
Molecular Formula 2C33H53O5.Ca
Molecular Weight 1099.62
Optical Activity ( + / - )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-TOCOPHEROL CALCIUM SUCCINATE, DL-

SMILES

[Ca++].CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(=O)CCC([O-])=O)=C2C.CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]3(C)CCC4=C(O3)C(C)=C(C)C(OC(=O)CCC([O-])=O)=C4C

InChI

InChIKey=QEKBRBCVWVLFHH-QAKUKHITSA-L
InChI=1S/2C33H54O5.Ca/c2*1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35;/h2*22-24H,9-21H2,1-8H3,(H,34,35);/q;;+2/p-2/t2*23-,24-,33-;/m11./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 C33H53O5
Molecular Weight 529.7709
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:24:32 UTC 2023
Edited
by admin
on Sat Dec 16 10:24:32 UTC 2023
Record UNII
H5A1374A6R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-TOCOPHEROL CALCIUM SUCCINATE, DL-
Common Name English
DL-ALPHA-TOCOPHERYL CALCIUM SUCCINATE
Common Name English
6-CHROMANOL, 2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-, HYDROGEN SUCCINATE, CALCIUM SALT, (±)-
Systematic Name English
DL-.ALPHA.-TOCOPHEROL CALCIUM SUCCINATE
Common Name English
SUCCINIC ACID, MONO(2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-6-CHROMANYL) ESTER, CALCIUM SALT, (±)-
Systematic Name English
BUTANEDIOIC ACID, 1-(3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-YL) ESTER, CALCIUM SALT (2:1)
Systematic Name English
Code System Code Type Description
DAILYMED
H5A1374A6R
Created by admin on Sat Dec 16 10:24:32 UTC 2023 , Edited by admin on Sat Dec 16 10:24:32 UTC 2023
PRIMARY
RXCUI
2598017
Created by admin on Sat Dec 16 10:24:32 UTC 2023 , Edited by admin on Sat Dec 16 10:24:32 UTC 2023
PRIMARY
EVMPD
SUB73846
Created by admin on Sat Dec 16 10:24:32 UTC 2023 , Edited by admin on Sat Dec 16 10:24:32 UTC 2023
PRIMARY
FDA UNII
H5A1374A6R
Created by admin on Sat Dec 16 10:24:32 UTC 2023 , Edited by admin on Sat Dec 16 10:24:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID30431000
Created by admin on Sat Dec 16 10:24:32 UTC 2023 , Edited by admin on Sat Dec 16 10:24:32 UTC 2023
PRIMARY
SMS_ID
100000136283
Created by admin on Sat Dec 16 10:24:32 UTC 2023 , Edited by admin on Sat Dec 16 10:24:32 UTC 2023
PRIMARY
CAS
14638-18-7
Created by admin on Sat Dec 16 10:24:32 UTC 2023 , Edited by admin on Sat Dec 16 10:24:32 UTC 2023
PRIMARY
PUBCHEM
443968
Created by admin on Sat Dec 16 10:24:32 UTC 2023 , Edited by admin on Sat Dec 16 10:24:32 UTC 2023
PRIMARY