Beta-Tocopherol

CAT: 0127-OR98323-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR98323-04Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

16698-35-4

Synonyms

5,8-Dimethyltocol

MDL Number

MFCD23103042

Purity

98%

Smiles

[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(O)=CC(C)=C2O1

Chemical Information

Beta-Tocopherol

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.

CAS Number	16698-35-4
PubChem CID	6857447
IUPAC Name	(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Molecular Formula	C28H48O2
Molecular Weight	416.7
XLogP	10.3
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	30
Formal Charge	0
Complexity	475

SMILES

CC1=CC(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O

InChI

InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1

InChIKey

WGVKWNUPNGFDFJ-DQCZWYHMSA-N

Chemical Structure

2D Structure

CAS: 16698-35-4

CID: 6857447

Formula: C28H48O2

MW: 416.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	416.7
XLogP3	10.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	416.365430770
Monoisotopic Mass	416.365430770
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	475
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS6020131-01	beta-Tocopherol
TBW00833	D-beta-Tocopherol
TRC-T526132-25MG	beta-Tocopherol-d3
TRC-T526170-2.5MG	Beta-Tocopherol (Racemic Mixture)
021906-01	α-Tocopherol (D-a-Tocopherol)
RM-T031853-01	α-Tocopherol; All-Rac-α-Tocopherol
BA8379-10	β-Tocopherol
HY-N7148A	(±) -γ-Tocopherol
AB3482	(+) -δ-Tocopherol

Beta-Tocopherol

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