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12-epi-Teucvidin

CAT: 0013-GTR19233774-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233774-01Size:50 mg
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Description
12-epi-Teucvidin is a diterpenoid isolated from Teucrium fourrifarium. It is a research chemical of interest for its potential antioxidant, analgesic, and anti-inflammatory activities, suitable for in vitro and in vivo pharmacological investigations.
CAS Number
125137-19-1
Field of Research
Cell Biology
Smiles
C[C@H]1[C@@]2 ([C@]3 (C=4[C@@] (C1) (OC (=O) C4CCC3) [H]) [H]) C[C@@H] (OC2=O) C=5C=COC5
Molecular Formula
C19H20O5
Molecular Weight
328.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(-)-Teucvidin

(1R,5'R,8R,9R,10R)-5'-(furan-3-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione has been reported in Teucrium kotschyanum with data available.

CAS Number125137-19-1
PubChem CID13071600
IUPAC Name(1R,5'R,8R,9R,10R)-5'-(furan-3-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
Molecular FormulaC19H20O5
Molecular Weight328.4
XLogP2.3
Topological Polar Surface Area65.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity638
SMILES
C[C@@H]1C[C@@H]2C3=C(CCC[C@H]3[C@@]14C[C@@H](OC4=O)C5=COC=C5)C(=O)O2
InChI
InChI=1S/C19H20O5/c1-10-7-14-16-12(17(20)23-14)3-2-4-13(16)19(10)8-15(24-18(19)21)11-5-6-22-9-11/h5-6,9-10,13-15H,2-4,7-8H2,1H3/t10-,13-,14-,15-,19-/m1/s1
InChIKey
XJRMFKRYVTYFPN-SGMPLLJNSA-N
Chemical Structure
2D Structure
2D structure of (-)-Teucvidin
CAS: 125137-19-1
CID: 13071600
Formula: C19H20O5
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass328.13107373
Monoisotopic Mass328.13107373
Topological Polar Surface Area65.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes