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γ-CEHC

CAT: 0931-T84724-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84724-01Size:10 mg
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CAS Number
178167-75-4
Target
Endogenous Metabolite, Drug Metabolite, Others
Related Pathways
Metabolism, Others
Bioactivity
γ-CEHC, a metabolite of γ-tocopherol, is predominantly excreted through urine, primarily in its conjugated form as glucuronide [1], rather than through bile.
Smiles
CC1=C2C(CCC(CCC(O)=O)(C)O2)=CC(O)=C1C
Molecular Formula
C15H20O4
Molecular Weight
264.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,7,8-Trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman

Gamma-CEHC is is a metabolite of vitamin E. It has a role as an antioxidant.

CAS Number178167-75-4
PubChem CID133098
IUPAC Name3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)propanoic acid
Molecular FormulaC15H20O4
Molecular Weight264.32
XLogP2.8
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity343
SMILES
CC1=C(C=C2CCC(OC2=C1C)(C)CCC(=O)O)O
InChI
InChI=1S/C15H20O4/c1-9-10(2)14-11(8-12(9)16)4-6-15(3,19-14)7-5-13(17)18/h8,16H,4-7H2,1-3H3,(H,17,18)
InChIKey
VMJQLPNCUPGMNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,7,8-Trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman
CAS: 178167-75-4
CID: 133098
Formula: C15H20O4
MW: 264.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight264.32
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass264.13615911
Monoisotopic Mass264.13615911
Topological Polar Surface Area66.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes