Compound: BETA-TOCOPHEROL
SMILES: O1c2c(c(c(O)cc2C)C)CC[C@]1(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
InChIKey: WGVKWNUPNGFDFJ-DQCZWYHMSA-N
Synonyms: BETA-TOCOPHEROL, 148-03-8, d-beta-Tocopherol, 5,8-Dimethyltocol, Cumotocopherol, Neotocopherol, p-Xylotocopherol, beta Tocopherol, 8K9365K9PX, (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol, (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol, J236.825K, 9U6A490501, CHEBI:47771, (2R)-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol, (2R)-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol, RefChem:567985, RRR-BETA-TOCOPHEROL, 3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol, 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol, 205-708-5, 240-747-1, 16698-35-4, (R)-2,5,8-Trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol, .beta.-Tocopherol, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-, MFCD23103042, b-Tocopherol (Racemic Mixture), rel-(R)-2,5,8-Trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol, beta-D-Tocopherol, [2R[2R*(4R*,8R*)]]-3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-rel-, DL-beta-Tocopherol, (?)-?-Tocopherol, (2R)-3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-rel-, b-Tocopherol  (1.0 mg/mL in hexane)(Racemic Mixture), Neotocophero, UNII-8K9365K9PX, beta -Tocopherol, -Tocopherol-d3, ?-D-Tocopherol, Tocopherol, beta-, UNII-9U6A490501, (2R(2R*(4R*,8R*)))-3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol, (2R)-3,4-DIHYDRO-2,5,8-TRIMETHYL-2-((4R,8R)-4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-OL, EINECS 205-708-5, EINECS 240-747-1, (rel)-|A-Tocopherol, (+/-)-beta-Tocopherol, DL-BETA TOCOPHEROL, (R,R,R)-beta-Tocopherol, D-.BETA.-TOCOPHEROL, BIDD:PXR0140, SCHEMBL39202, DL-.BETA.-TOCOPHEROL, 6-Chromanol, 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-, RRR-.BETA.-TOCOPHEROL, rac- beta -Tocopherol solution, orb1297443, orb3025855, orb3137075, orb3140260, .BETA.-TOCOPHEROL [MI], .BETA.-TOCOPHEROL, DL-, (rel)-|A-Tocopherol (Standard), BETA TOCOPHEROL [WHO-DD], DTXSID10873424, DTXSID30884931, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-, (+)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol, 48223-98-9, MSK14753, RAA69835, VITAMIN E (BETA TOCOTRIENOL), AKOS022171754, EBC-615877, HY-113068R, 3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12- trimethyltridecyl)-2H-1-benzopyran-6-ol, 3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol, AS-74577, DA-59367, DA-71440, SY069070, XT183473, HY-133680, CS-0128997, NS00076596, J1.282.204I, J1.604.281A, E76237, Q155667, RRR-.ALPHA.-TOCOPHEROL IMPURITY B [EP IMPURITY], FA7BA838-41F9-4B85-947D-F3A920942587, (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol, (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol, 2H-1-BENZOPYRAN-6-OL, 3,4-DIHYDRO-2,5,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-, (2R*(4R*,8R*))- 6-CHROMANOL, 2,5,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-, RAC-(2R*)-3,4-DIHYDRO-2,5,8-TRIMETHYL-2-((4R*,8R*)-4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-OL, REL-(2R*)-2,5,8-TRIMETHYL-2-((4R*,8R*)-4,8,12-TRIMETHYLTRIDECYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-6-OL
Theoretical properties:
molecular_formula: C28H48O2
molecular_weight: 416.7 g/mol
exact_mass: 416.365430770 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 12
heavy_atom_count: 30
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: < 25 °C
Descriptions:
pubchem: Beta-tocopherol is a tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts. It has a role as a plant metabolite and a food component. It is a tocopherol and a vitamin E.
chebi: A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts.
wikipedia: β-Tocopherol (beta-tocopherol) is a type of tocopherol with formula C28H48O2.