Curcumin-d6

CAT: 0926-WZB83326-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-WZB83326-02Size:25 mg

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CAS Number

1246833-26-0

MDL Number

MFCD22570265

Smiles

COC1=C (C=CC (=C1) C=CC (=O) CC (=O) C=CC2=CC (=C (C=C2) O) OC) O

Molecular Formula

C21H20O6

Molecular Weight

374.4 g/mol

Controlled

Chemical Information

(1E,6E)-1,7-Bis(4-hydroxy-3-((~2~H_3_)methyloxy)phenyl)hepta-1,6-diene-3,5-dione

CAS Number	1246833-26-0
PubChem CID	53464495
IUPAC Name	(1E,6E)-1,7-bis[4-hydroxy-3-(trideuteriomethoxy)phenyl]hepta-1,6-diene-3,5-dione
Molecular Formula	C21H20O6
Molecular Weight	374.4
XLogP	3.2
Topological Polar Surface Area	93.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	507

SMILES

[2H]C(OC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC([2H])([2H])[2H])O)([2H])[2H]

InChI

InChI=1S/C21H20O6/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/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+/i1D3,2D3

InChIKey

VFLDPWHFBUODDF-BQWNYRPNSA-N

Chemical Structure

2D Structure

CAS: 1246833-26-0

CID: 53464495

Formula: C21H20O6

MW: 374.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	374.4
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	374.16364883
Monoisotopic Mass	374.16364883
Topological Polar Surface Area	93.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	507
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FC09321-01	Curcumin
FD20992-01	Demethyl curcumin
FT28087-01	Tetrahydro curcumin - Natural
PBA77761	Curcumin analog C1
FC180566-01	Curcumin sulfate triethylamine
FT146193-01	Tetrahydro curcumin, Synthetic
MC172152-01	Curcumin b-D-glucuronide
JVB63923-01	Di- (tert-butyl-dimethylsilyl) curcumin
UYB80274-01	Bezafibrate-d6 (dimethyl-d6)
KGA22744-01	(±) -Mdea-d6[ (±) -3,4-methylenedioxyethylamphetamine-d6]

Catalog	Name
T10901-01	Curcumin-d6
RM-C186301-01	Curcumin D6
HY-150673S	Curcumin diglucoside-d6
TRC-D439502-5MG	Didemethyl Curcumin-d6
sc-472950	Tetrahydro Curcumin-d6
RM-C186302-01	Tetrahydro Curcumin D6
HY-150674S	Curcumin-diglucoside tetraacetate-d6
CS-T-86310	Tetrahydro Curcumin-d6 (Mixture of Isomers)
CS-O-52501	Curcumin sulfate-D6 triethylamine salt
HY-143676S	(1E,4Z,6E) -Curcumin-d6