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Moluccanin diacetate

CAT: 0013-GTR19227779-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227779-01Size:1 mg
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Description
Moluccanin diacetate is a bioactive small molecule utilized in life science research. It serves as a valuable tool compound for pharmacological studies, with applications in both in vitro assays and in vivo experimental models to investigate biological pathways.
CAS Number
121700-27-4
Smiles
C (OC (C) =O) [C@H]1[C@@H] (OC2=C (O1) C=C3C (=C2) OC (=O) C=C3) C4=CC (OC) =C (OC (C) =O) C (OC) =C4
Molecular Formula
C24H22O10
Molecular Weight
470.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Moluccanin diacetate
CAS Number121700-27-4
PubChem CID14134113
IUPAC Name[3-(4-acetyloxy-3,5-dimethoxyphenyl)-7-oxo-2,3-dihydropyrano[3,2-g][1,4]benzodioxin-2-yl]methyl acetate
Molecular FormulaC24H22O10
Molecular Weight470.4
XLogP2.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity783
SMILES
CC(=O)OCC1C(OC2=C(O1)C=C3C=CC(=O)OC3=C2)C4=CC(=C(C(=C4)OC)OC(=O)C)OC
InChI
InChI=1S/C24H22O10/c1-12(25)30-11-21-23(15-8-19(28-3)24(31-13(2)26)20(9-15)29-4)34-18-10-16-14(7-17(18)32-21)5-6-22(27)33-16/h5-10,21,23H,11H2,1-4H3
InChIKey
HAIQTZKPIWOLBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Moluccanin diacetate
CAS: 121700-27-4
CID: 14134113
Formula: C24H22O10
MW: 470.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass470.12129689
Monoisotopic Mass470.12129689
Topological Polar Surface Area116 Ų
Heavy Atom Count34
Formal Charge0
Complexity783
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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