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Rosarin

CAT: 0931-T3887-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T3887-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
84954-93-8
Target
Others, Interleukin
Related Pathways
Immunology/Inflammation, Others
Purity
0.9995
Bioactivity
Rosarin has anti-inflammatory and neuroprotective effects. Rosarin supresses the expression of the proinflammatory factors iNOS, IL-1 β, and TNF- α in the kidney and prefrontal cortex of brain in mice .
Smiles
OC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC\C=C\c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Molecular Formula
C20H28O10
Molecular Weight
428.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rosarin

Rosarin is an O-acyl carbohydrate.

CAS Number84954-93-8
PubChem CID10320370
IUPAC Name(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
Molecular FormulaC20H28O10
Molecular Weight428.4
XLogP-1.4
Topological Polar Surface Area158
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity540
SMILES
C1=CC=C(C=C1)/C=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O
InChI
InChI=1S/C20H28O10/c21-9-12-14(22)17(25)20(29-12)28-10-13-15(23)16(24)18(26)19(30-13)27-8-4-7-11-5-2-1-3-6-11/h1-7,12-26H,8-10H2/b7-4+/t12-,13+,14-,15+,16-,17+,18+,19+,20+/m0/s1
InChIKey
IEBFEMIXXHIISM-YZOUKVLTSA-N
Chemical Structure
2D Structure
2D structure of Rosarin
CAS: 84954-93-8
CID: 10320370
Formula: C20H28O10
MW: 428.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.4
XLogP3-1.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass428.16824709
Monoisotopic Mass428.16824709
Topological Polar Surface Area158 Ų
Heavy Atom Count30
Formal Charge0
Complexity540
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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