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Molecule
Vitamin E Succinate
CAS: 4345-03-3 · C33H54O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4345-03-3
- Molecular Formula
- C33H54O5
- Molecular Mass
- 530.79 g/mol
Identifiers
CAS Registry 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
InChI Key
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
Names and Synonyms
- Vitamin E Succinate Synonym
- 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 Synonym
- Succinic acid, mono[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl] ester, (+)- Synonym
- 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*)]]- Synonym
- α-Tocopherol, succinate Synonym
- 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 Synonym
- 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, hydrogen succinate, (+)- Synonym
- (+)-α-Tocopheryl succinate Synonym
- α-Tocopheryl acid succinate Synonym
- d-α-Tocopherol acid succinate Synonym
- d-α-Tocopheryl acid succinate Synonym
- α-Tocopheryl succinate Synonym
- α-Tocopherol hemisuccinate Synonym
- Covitol 1210 Synonym
- α-Tocopherol acid succinate Synonym
- d-α-Tocopheryl hemisuccinate Synonym
- Vitamin E hemisuccinate Synonym
- Vitamin E d-α-tocosuccinate Synonym
- Vitamin E acid succinate Synonym
- Vitamin E succinate Synonym
- CV 104 Synonym
- NSC 173849 Synonym
- α-Vitamin E succinate Synonym
- Tocopherol succinate Synonym
- α-Tocopheryl hemisuccinate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 530.79 g/mol | CAS Common Chemistry |
| 530.7900000000005 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(=O)OC=1C(=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(C)CCCC(C)C)C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=IELOKBJPULMYRW-NJQVLOCASA-N | CAS Common Chemistry |
| Melting Point | 76-77 °C | CAS Common Chemistry |
| Name | Vitamin E succinate | CAS Common Chemistry |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.83000000000001 Ų | RDKit |
| 72.83 Ų | RDKit | |
| LogP | 8.904860000000003 | RDKit |
| 8.9049 | RDKit | |
| 9.51 | chempirical lib | |
| Molar Refractivity | 155.23079999999973 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7576 | RDKit |
| 0.76 | chempirical lib | |
| Exact Mass | 530.397124828 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 530.79 g/mol. Edit any field — others recompute live.
