Tocopherol Impurity 63

CAT: 1299-RM-T031863-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T031863-04Size:100 mg

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

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CAS Number

3808-26-2

Synonyms

2,5,7,8-tetramethyl-2- (4,8,12-trimethyltridecyl) -2H-chromen-6-ol

Molecular Formula

C29H48O2

Molecular Weight

428.7

Target Alternative Name

Tocopherol

Product Name Synonym

2,5,7,8-tetramethyl-2- (4,8,12-trimethyltridecyl) -2H-chromen-6-ol

Chemical Information

2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol

2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol has been reported in Stemona with data available.

CAS Number	3808-26-2
PubChem CID	14311401
IUPAC Name	2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol
Molecular Formula	C29H48O2
Molecular Weight	428.7
XLogP	10.6
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	31
Formal Charge	0
Complexity	541

SMILES

CC1=C(C2=C(C=CC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C

InChI

InChI=1S/C29H48O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h17,19-22,30H,9-16,18H2,1-8H3

InChIKey

JDRGHECKJUSWSU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3808-26-2

CID: 14311401

Formula: C29H48O2

MW: 428.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	428.7
XLogP3	10.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	428.365430770
Monoisotopic Mass	428.365430770
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	541
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-T031878-01	Tocopherol Impurity 78
RM-T031875-01	Tocopherol Impurity 75
RM-T031866-01	Tocopherol Impurity 66
RM-T031867-01	Tocopherol Impurity 67
RG-A262148-01	Tocopherol Impurity 60
RM-T031864-01	Tocopherol Impurity 64
RM-T031861-01	Tocopherol Impurity 61
RM-T031877-01	Tocopherol Impurity 77
RM-T031874-01	Tocopherol Impurity 74

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)