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D-Tocotrienol

CAT: 0013-GTR19194610Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194610Size:25 mg
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Description
Tocotrienols are a subclass of vitamin E compounds. They are investigated in vitro and in vivo for their potential roles in neuroprotection, cholesterol metabolism, and anti-cancer research due to their distinct biological activities compared to tocopherols.
CAS Number
136774-61-3
Smiles
C (C/C=C (/CC/C=C (/CCC=C (C) C) \C) \C) [C@@]1 (C) OC=2C (CC1) =CC (O) =CC2
Molecular Formula
C26H38O2
Molecular Weight
382.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

d-Tocotrienol

Desmethyl tocotrienol is a tocotrienol that is chroman-6-ol substituted by a methyl group at position 2 and a farnesyl group at position 2. It has a role as a plant metabolite.

CAS Number136774-61-3
PubChem CID6857436
IUPAC Name(2R)-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
Molecular FormulaC26H38O2
Molecular Weight382.6
XLogP8.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity567
SMILES
CC(=CCC/C(=C/CC/C(=C/CC[C@@]1(CCC2=C(O1)C=CC(=C2)O)C)/C)/C)C
InChI
InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+/t26-/m1/s1
InChIKey
GJJVAFUKOBZPCB-HQLRYZJNSA-N
Chemical Structure
2D Structure
2D structure of d-Tocotrienol
CAS: 136774-61-3
CID: 6857436
Formula: C26H38O2
MW: 382.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.6
XLogP38.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass382.287180451
Monoisotopic Mass382.287180451
Topological Polar Surface Area29.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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