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Polygodial

CAT: 0607-B7311-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7311-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TRPA1 channel activator
CAS Number
6754-20-7
Product Name Alternative
(1R,4aS,8aS)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde
Field of Research
Membrane Transporter Ion Channel TRP Channel
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
O=C[C@@H]1[C@]2(C)[C@@H](CC=C1C=O)C(C)(C)CCC2
Molecular Formula
C15H22O2
Molecular Weight
234.33
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Polygodial

Polygodial is an aldehyde.

CAS Number6754-20-7
PubChem CID72503
IUPAC Name(1R,4aS,8aS)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
Molecular FormulaC15H22O2
Molecular Weight234.33
XLogP3.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity367
SMILES
C[C@]12CCCC([C@@H]1CC=C([C@@H]2C=O)C=O)(C)C
InChI
InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1
InChIKey
AZJUJOFIHHNCSV-KCQAQPDRSA-N
Chemical Structure
2D Structure
2D structure of Polygodial
CAS: 6754-20-7
CID: 72503
Formula: C15H22O2
MW: 234.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.33
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass234.161979940
Monoisotopic Mass234.161979940
Topological Polar Surface Area34.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
P145-1MGPolygodial
sc-506433Polygodial pyridazine

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