Tocopherol Impurity 65

CAT: 1299-RM-T031865-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T031865-04Size:100 mg

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CAS Number

72657-56-8

Synonyms

2- (3-hydroxy-3,7,11,15-tetramethylhexadecyl) -3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

Molecular Formula

C29H50O3

Molecular Weight

446.72

Target Alternative Name

Tocopherol

Product Name Synonym

2- (3-hydroxy-3,7,11,15-tetramethylhexadecyl) -3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

Chemical Information

2-(3-Hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

tocoquinone has been reported in Garcinia paucinervis and Ardisia cornudentata with data available.

CAS Number	72657-56-8
PubChem CID	24205
IUPAC Name	2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Molecular Formula	C29H50O3
Molecular Weight	446.7
XLogP	8.8
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Heavy Atom Count	32
Formal Charge	0
Complexity	697

SMILES

CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O)C

InChI

InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3

InChIKey

LTVDFSLWFKLJDQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72657-56-8

CID: 24205

Formula: C29H50O3

MW: 446.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	446.7
XLogP3	8.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Exact Mass	446.37599545
Monoisotopic Mass	446.37599545
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	697
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-T031880-01	RRR-α-Tocopherol EP impurity A (RRR-δ-tocopherol, D-δ-Tocopherol)
RM-T031866-01	Tocopherol Impurity 66
RM-T031867-01	Tocopherol Impurity 67
RM-T031878-01	Tocopherol Impurity 78
RM-T031875-01	Tocopherol Impurity 75
RG-A262148-01	Tocopherol Impurity 60
RM-T031864-01	Tocopherol Impurity 64
RM-T031877-01	Tocopherol Impurity 77
RM-T031861-01	Tocopherol Impurity 61
RM-T031863-01	Tocopherol Impurity 63

Catalog	Name
AR-V01631-01	Tocopherol Impurity 3
AR-V01583-01	Tocopherol Impurity 1
AR-V01577-01	Tocopherol Impurity 2 (Deshydroxy Tocopherol Quinone)
CS-O-50047	DL-alpha-Tocopherol Impurity-C
AR-V01555-01	All-rac-alfa-Tocopherol EP impurity C
CS-O-60008	All-rac-alfa-Tocopherol EP Impurity D
AR-V01582-01	Tocopherol EP Impurity D (Vitamin E Impurity E) - (Mixture of Isomers)
XT170867-01	All-rac-alfa-Tocopherol EP Impurity A - (Mixture of Diastereomers)
CS-T-53097	All-rac-alfa-Tocopherol EP Impurity A (Mixture of Diastereomers)
AR-V06820-01	All-rac-alfa-Tocopherol EP Impurity C (Mixture of Isomers)