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(+/-) -6-Gingerol

CAT: 0013-GTR19226903-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226903-01Size:1 mg
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Description
TBBP06234 (CAS 39886-76-5) is a research chemical employed in life science studies. It serves as a tool compound for in vitro biochemical assays and has been utilized in research exploring cellular signaling pathways.
CAS Number
39886-76-5
Smiles
CCCCCC (O) CC (=O) CCc1ccc (O) c (OC) c1
Molecular Formula
C17H26O4
Molecular Weight
294.391
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)Decan-3-One

See also: (6)-Gingerol (annotation moved to).

CAS Number39886-76-5
PubChem CID3473
IUPAC Name5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
Molecular FormulaC17H26O4
Molecular Weight294.4
XLogP2.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity293
SMILES
CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
InChIKey
NLDDIKRKFXEWBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)Decan-3-One
CAS: 39886-76-5
CID: 3473
Formula: C17H26O4
MW: 294.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass294.18310931
Monoisotopic Mass294.18310931
Topological Polar Surface Area66.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity293
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

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