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6-Shogaol

CAT: 0607-N2449-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-N2449-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
555-66-8
Product Name Alternative
(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
Field of Research
Natural Products
Purity
0.9931
Form
A colorless oil
Solubility
≥27.6 mg/mL in DMSO; insoluble in H2O; ≥125.6 mg/mL in EtOH
Smiles
CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC
Molecular Formula
C17H24O3
Molecular Weight
276.37
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(6)-Shogaol
CAS Number555-66-8
PubChem CID11152
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
Molecular FormulaC17H24O3
Molecular Weight276.4
XLogP3.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count20
Formal Charge0
Complexity299
SMILES
CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
InChIKey
OQWKEEOHDMUXEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (6)-Shogaol
CAS: 555-66-8
CID: 11152
Formula: C17H24O3
MW: 276.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass276.17254462
Monoisotopic Mass276.17254462
Topological Polar Surface Area46.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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