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10-Shogaol

CAT: 0572-TRC-S357950-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S357950-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36752-54-2
Synonyms
1-(4-Hydroxy-3-methoxyphenyl)-4-tetradecen-3-one
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
O=C(C=CCCCCCCCCC)CCC1=CC=C(O)C(OC)=C1
Molecular Formula
C21 H32 O3
Molecular Weight
332.48
InChI
InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3
Additionnal Information
IUPAC name: 1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(10)-Shogaol

[10]-Shogaol is a monomethoxybenzene, a member of phenols and an enone.

CAS Number36752-54-2
PubChem CID6442612
IUPAC Name(E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one
Molecular FormulaC21H32O3
Molecular Weight332.5
XLogP5.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Heavy Atom Count24
Formal Charge0
Complexity351
SMILES
CCCCCCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3/b12-11+
InChIKey
FADFGCOCHHNRHF-VAWYXSNFSA-N
Chemical Structure
2D Structure
2D structure of (10)-Shogaol
CAS: 36752-54-2
CID: 6442612
Formula: C21H32O3
MW: 332.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.5
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass332.23514488
Monoisotopic Mass332.23514488
Topological Polar Surface Area46.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity351
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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