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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
Names and Synonyms:
Vitamin E Succinate
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
Vitamin E succinate
CV 104
NSC 173849
α-Vitamin E succinate
Tocopherol succinate
α-Tocopheryl hemisuccinate
Identifiers:
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:
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
Key Properties
Melting Point
76-77 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 530.79 g/mol | CAS Common Chemistry |
| 530.7900000000005 g/mol | RDKit | |
| 530.397124828 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 |
| LogP | 8.904860000000003 | RDKit |
| Molar Refractivity | 155.23079999999973 | RDKit |
