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Demethyl Curcumin

CAT: 0572-TRC-D230865-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D230865-25MGSize:25 mg
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CAS Number
149732-51-4
Synonyms
(1E,6E)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione;
Hazard Statement
May be harmful if swallowed.
Purity
>95% (HPLC)
Smiles
COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)O)O
Molecular Formula
C20H18O6
Molecular Weight
354.35
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Demethylcurcumin

1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione is a diarylheptanoid.

CAS Number149732-51-4
PubChem CID5469426
IUPAC Name(1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Molecular FormulaC20H18O6
Molecular Weight354.4
XLogP2.9
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity540
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C20H18O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h2-11,23-25H,12H2,1H3/b6-2+,7-3+
InChIKey
FFRFJIZJLZXEJX-YPCIICBESA-N
Chemical Structure
2D Structure
2D structure of Demethylcurcumin
CAS: 149732-51-4
CID: 5469426
Formula: C20H18O6
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass354.11033829
Monoisotopic Mass354.11033829
Topological Polar Surface Area104 Ų
Heavy Atom Count26
Formal Charge0
Complexity540
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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