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Rutaevin

CAT: 0013-GTR19165108-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165108-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Rutaevin is a potential anti-inflammatory agent that inhibits nitric oxide (NO) production in LPS-activated RAW264.7 macrophages. This in vitro activity supports its research use in studying inflammatory pathways and macrophage biology.
CAS Number
33237-37-5
Product Name Alternative
Inhibit, NOSynthase, Inhibitor, NO Synthase, macrophage, Euodia rutaecarpa, production, Reactive Oxygen Species, ReactiveOxygenSpecies, RAW 264.7, Rutaevin
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Purity
99.88% (May vary between batches)
Solubility
DMSO:60 mg/mL (123.33 mM)
Smiles
C[C@]12[C@]34[C@] (C) ([C@@H] (OC (=O) [C@]3 (O4) [H]) C=5C=COC5) CC[C@@]1 ([C@]67[C@] (C (=O) [C@@H]2O) (C (C) (C) O[C@]6 (CC (=O) OC7) [H]) [H]) [H]
Molecular Formula
C26H30O9
Molecular Weight
486.51
Storage Conditions
Keep away from direct sunlight, keep away from moisture | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Rutaevin

Rutaevin is a steroid lactone.

CAS Number33237-37-5
PubChem CID441805
IUPAC Name(1R,2R,7S,10R,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,11,17-trione
Molecular FormulaC26H30O9
Molecular Weight486.5
XLogP1.3
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Heavy Atom Count35
Formal Charge0
Complexity1040
SMILES
C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)([C@H](C(=O)[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)O)C
InChI
InChI=1S/C26H30O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,17-20,29H,5,7,9,11H2,1-4H3/t13-,14-,17-,18-,19-,20+,23-,24-,25-,26+/m0/s1
InChIKey
YZMKFMIZNSOPSN-XGTMLCIVSA-N
Chemical Structure
2D Structure
2D structure of Rutaevin
CAS: 33237-37-5
CID: 441805
Formula: C26H30O9
MW: 486.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.5
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Exact Mass486.18898253
Monoisotopic Mass486.18898253
Topological Polar Surface Area125 Ų
Heavy Atom Count35
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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