Alpha-Tocopherol Acetate
PubChem CID: 86472
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| Compound Synonyms | 58-95-7, alpha-Tocopherol acetate, Vitamin E acetate, Tocopherol acetate, Alfacol, D-alpha-tocopherol acetate, D-ALPHA-TOCOPHERYL ACETATE, Ecofrol, Contopheron, Tofaxin, Econ, Ephynal acetate, Tokoferol acetate, DL-alpha-Tocopheryl acetate, Evipherol, Tocopherex, Tocophrin, Erevit, Gevex, (+)-alpha-Tocopherol acetate, Tocopheryl acetate, alpha-Tocopheryl acetate, Combinal E, Epsilan-M, E-Toplex, E-Ferol, Endo E Dompe, Spondyvit, Copherol 1250, Covitol 1100, Covitol 1360, Vitamin Ealpha acetate, Vitamin E acetate, d-, Nanotopes, Simmyungsaengmosu, NatAc, Tinoderm E, Fertilvit, Natur-E granulate, Lutavit E 50, Ephynal, Juvela, (+)-alpha-Tocopheryl acetate, CCRIS 4389, (R,R,R)-alpha-Tocopheryl acetate, EINECS 200-405-4, 52225-20-4, MFCD00072052, UNII-A7E6112E4N, D-alpha tocoferil acetate, (2R,4'R,8'R)-alpha-Tocopheryl acetate, A7E6112E4N, d-Alpha Tocopheryl Acetate, alpha-Tocopherol acetate, (2R,4'R,8'R)-, RRR-alpha-tocopheryl acetate, (+)-alfa-tocopherol acetate, alpha-tocopheryl acetate, D-, DTXSID1031096, CHEBI:32321, 9E8X80D2L0, alpha-Tocopherylis acetas, D-, A-Tocopherol acetate, MFCD00072042, T-3376, d-Vitamin E acetate, Tocopheryl Acetate, d-Alpha, NCGC00166253-02, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-cromanyl acetate, (+)-, 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)-, 6-Cromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (+)-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, DTXCID601356, alpha-Tocopherol acetate, all rac, [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (2R-(2*(4R*,8R*)))-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R-[2R*(4R*,8R*)]]-, 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl acetate, (2R-(2*(4R*,8R*)))-, DTXSID3021356, DL-alpha-Tocopherylacetate (Vitamin E acetate), D-.alpha.-Tocopherol acetate, a-tocopherol acetate, ALPHA-TOCOPHEROL ACETATE, D-, ALPHA-TOCOPHEROL ACETATE. D-, Vectan (TN), NSC 755840, NSC-755840, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, acetate, (2R)-, DL--Tocopherol acetate, J24.807J, SMR000857327, CAS-52225-20-4, O-Acetyl-alpha-tocopherol, .alpha.-Tocopheryl acetate, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, 6-acetate, (2R)-, 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-,acetate, (2R)-, D-.alpha.-Tocopheryl acetate, (+)-.alpha.-Tocopherol acetate, (+)-.alpha.-Tocopheryl acetate, DTXCID60196594, (R,R,R)-.alpha.-Tocopheryl acetate, DL-alpha-Tocopherylacetate (Vitamin E acetate) 10 microg/mL in Acetonitrile, (R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl acetate, EINECS 231-710-0, (+)-, A-Tocopherol acetate, (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl acetate, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (2R-(2R*(4R*,8R*)))-, Tocopheryl acetate,alpha, Vitamin E Acetate (D-form), Tocopheryl acetate, D-alpha-, Alpha Tocopheryl Acetate, D-ALPHA TOCOFERIL ACETATE (MART.), D-ALPHA TOCOFERIL ACETATE [MART.], UNII-9E8X80D2L0, BRN 0097512, (2R,4'R,8'R)-.alpha.-Tocopheryl acetate, D-?-Tocopherol acetate, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, acetate, (2R)-rel-, Tocopherolacetate, alpha-, 54-22-8, DL-alpha-Tocopherylacetate, Tocopherol acetate [JAN], CHEMBL1047, SCHEMBL22298, MLS001335985, MLS001335986, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl acetate #, EC 231-710-0, HMS2230C20, (2R,4'R,8'R)-alpha-Tocopherol acetate, [2R-[2R*(4R,8R*)]]-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol acetate, 5-17-04-00169 (Beilstein Handbook Reference), Acetate, Tocopherol, Tox21_111491, Tox21_111564, Tox21_113467, Tox21_303444, 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate, AKOS025117621, Tox21_113467_1, D--Tocopherol acetate, .ALPHA.-TOCOPHEROL ACETATE, D-, CAS-58-95-7, NCGC00095255-08, NCGC00166253-01, NCGC00257504-01, AS-13784, alpha Tocopherol Acetate, d alpha Tocopheryl Acetate, DL-alpha-Tocopherol acetate, >=96% (HPLC), DL-alpha-Tocopherol acetate, 50% powder form, (+)-a-Tocopherol acetate, 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, D01735, DL-alpha-Tocopherol acetate, analytical standard, DL-alpha-Tocopherol acetate, EP/USP/FCC grade, [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] acetate, 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-b- enzopyran-6-ol, acetate, Tocopherol acetate (JP18), Vitamin E acetate (unlabeled), VITAMIN E ALPHA ACETATE, DL-a-Tocopherol acetate - oil, ECA8C22F-B5D3-4B88-A9B7-AF6C600001BB, (+)- alpha -Tocopherol acetate, DL-alpha-Tocopherol acetate, tested according to Ph.Eur., TOCOPHERYL ACETATE,D-ALPHA, DL-a-Tocopherol acetate - powder, HY-B1278, TOCOPHERYL ACETATE [WHO-DD], Vitamin E acetate, unspecified form, TOCOPHERYL ACETATE, alpha, D-, s3681, Vitamin E (alpha tocopherol acetate), Alpha Tocopheryl Acetate, United States Pharmacopeia (USP) Reference Standard, alpha-Tocopherol acetate, European Pharmacopoeia (EP) Reference Standard, DL-alpha-Tocopherol acetate, certified reference material, TraceCERT(R), CCG-269474, DB14002, FT31815, FT33100, (+)-alpha-Tocopherol acetate, BioReagent, suitable for insect cell culture, ~1360 IU/g, .ALPHA.-TOCOPHEROL ACETATE. D-, Tocopheryl Acetate, a, Pharmaceutical Secondary Standard, Certified Reference Material, .ALPHA.-TOCOPHEROL ACETATE [MI], TOCOPHERYL ACETATE, .ALPHA., D-, (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl acetate, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate, all-rac-2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl acetate, All-rac-alpha-tocopheryl acetate for peak identification, European Pharmacopoeia (EP) Reference Standard, ALPHA TOCOPHERYL ACETATE (USP-RS), FT146270, RRR-ALPHA-TOCOPHERYL ACETATE [FCC], TOCOPHERYL ACETATE,D-ALPHA [VANDF], CS-0013056, NS00002261, T2322, VITAMIN E (ALPHA-TOCOPHERYL ACETATE), A11606, D70796, alpha-TOCOPHEROL ACETATE, UNSPECIFIED FORM, EN300-7398027, Q364160, Z2681891483, Vitamin E acetate (dimethyl-13C2, acetyl-13C2, 99%, dimethyl-D6, 98%), (+)-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-6-CHROMANOL ACETATE, (2R-(2R*(4R*,8R*)))-3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRI-DECYL)-2H-1-BENZOPYRAN-6-OL ACETATE, 200-405-4 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 601.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | Q92830, O95149, O75496, P0DTD1, n.a., P10275, P04792, Q03181, P19838 |
| Iupac Name | [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate |
| Prediction Hob | 0.0 |
| Xlogp | 10.8 |
| Molecular Formula | C31H52O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZAKOWWREFLAJOT-CEFNRUSXSA-N |
| Fcsp3 | 0.7741935483870968 |
| Logs | -7.482 |
| Rotatable Bond Count | 14.0 |
| Logd | 7.058 |
| Compound Name | Alpha-Tocopherol Acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 472.392 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 472.392 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 472.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.781663035294121 |
| Inchi | InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1 |
| Smiles | CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senegalia Catechu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all