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Tetrahydro Curcumin-d6

CAT: 0024-sc-472950Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-472950Size:1 mg
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CAS Number
1794898-13-7

Chemical Information

Tetrahydro Curcumin-d6
CAS Number1794898-13-7
PubChem CID71752447
IUPAC Name1,7-bis[4-hydroxy-3-(trideuteriomethoxy)phenyl]heptane-3,5-dione
Molecular FormulaC21H24O6
Molecular Weight378.4
XLogP2.8
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity437
SMILES
[2H]C([2H])([2H])OC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC(=C(C=C2)O)OC([2H])([2H])[2H])O
InChI
InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3/i1D3,2D3
InChIKey
LBTVHXHERHESKG-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydro Curcumin-d6
CAS: 1794898-13-7
CID: 71752447
Formula: C21H24O6
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass378.19494896
Monoisotopic Mass378.19494896
Topological Polar Surface Area93.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity437
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-460977Curcumin-d6
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sc-200509ACurcumin
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Alternative Products

CatalogName
RM-C186302-01Tetrahydro Curcumin D6
CS-T-86310Tetrahydro Curcumin-d6 (Mixture of Isomers)
AR-C03741-01Tetrahydro Curcumin-d6 (Mixture of Tautomeric Isomers)
MBS579732Tetrahydro Curcumin
FT28087-01Tetrahydro curcumin - Natural
FT146193-01Tetrahydro curcumin, Synthetic
CS-O-60309Tetrahydro Demethoxy curcumin-d7
CS-O-60310Tetrahydro Bis Demethoxy Curcumin-d8
AR-C03733-01Tetrahydro Curcumin (Mixture of Tautomeric Isomers)
021507Tetrahydro Curcumin discontinued. See 289994

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