chempirical

Vitamin E succinate

C33H54O5CAS 4345-03-3530.79 g/mol

Open in Covalent MOL file
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Carboxylic acidEsterEther

Properties

Molecular formula
C33H54O5
Molar mass
530.79 g/mol
Exact mass
530.3971 Da
Melting point
76–77 °C
logP
8.90Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
16
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
4345-03-3
SMILES
Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIKey
IELOKBJPULMYRW-NJQVLOCASA-N
InChI
InChI=1S/C33H54O5/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)/t23-,24-,33-/m1/s1

Weigh it out

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

Names and synonyms

23 names · show all
  • Butanedioic acid, 1-[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] ester
  • Succinic acid, mono[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl] ester, (+)-
  • Butanedioic acid, mono[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl] ester, [2R-[2R*(4R*,8R*)]]-
  • α-Tocopherol, succinate
  • Butanedioic acid, mono[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] ester
  • 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, hydrogen succinate, (+)-
  • (+)-α-Tocopheryl succinate
  • α-Tocopheryl acid succinate
  • d-α-Tocopherol acid succinate
  • d-α-Tocopheryl acid succinate
  • α-Tocopheryl succinate
  • α-Tocopherol hemisuccinate
  • Covitol 1210
  • α-Tocopherol acid succinate
  • d-α-Tocopheryl hemisuccinate
  • Vitamin E hemisuccinate
  • Vitamin E d-α-tocosuccinate
  • Vitamin E acid succinate
  • CV 104
  • NSC 173849
  • α-Vitamin E succinate
  • Tocopherol succinate
  • α-Tocopheryl hemisuccinate

Work with Vitamin E 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

Tocofersolan9002-96-478 % similar Dl-α-tocopherol calcium succinate14638-18-776 % similar Dl-α-tocopherol acetate52225-20-470 % similar α-Tocopheryl acetate58-95-770 % similar [2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate7695-91-270 % similar Dl-α-tocopherol10191-41-063 % similar Dl-α-tocopherol2074-53-563 % similar α-Tocopherol59-02-963 % similar

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

Elsewhere

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