Dl-α-tocopherol calcium succinate

C₆₆H₁₀₆CaO₁₀CAS 14638-18-71099.64 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Ether

Properties

Molecular formula: C₆₆H₁₀₆CaO₁₀
Molar mass: 1099.64 g/mol
Exact mass: 1098.7412 Da
logP: 8.52Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 16

Identifiers

CAS number

14638-18-7

SMILES

Cc1c(C)c2OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CCc2c(C)c1OC(=O)CCC([O-])=O.Cc1c(C)c2OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CCc2c(C)c1OC(=O)CCC([O-])=O.[Ca+2]

InChIKey

SJHFXYCILGLPJK-UHFFFAOYSA-N

InChI

InChI=1S/C33H54O5.Ca/c1-22(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;/h22-24H,9-21H2,1-8H3,(H,34,35);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

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)
Succinic acid, mono[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl] ester, calcium salt, (±)-
Butanedioic acid, mono[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl] ester, calcium salt
6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, hydrogen succinate, calcium salt, (±)-

Work with Dl-α-tocopherol calcium succinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Vitamin E succinate4345-03-376 % similar Tocofersolan9002-96-472 % similar Dl-α-tocopherol acetate52225-20-467 % similar α-Tocopheryl acetate58-95-767 % similar [2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate7695-91-267 % similar Dl-α-tocopherol10191-41-057 % similar Dl-α-tocopherol2074-53-557 % similar α-Tocopherol59-02-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook