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Teuflin

CAT: 0931-T124325-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T124325-01Size:1 mg
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CAS Number
72541-00-5
Target
Others
Related Pathways
Others
Bioactivity
Teuflin is a natural product that can be used as a reference standard. The CAS number of Teuflin is 72541-00-5.
Smiles
[H][C@]12CCCC3=C1[C@@H](C[C@@H](C)[C@]21C[C@H](OC1=O)c1ccoc1)OC3=O
Molecular Formula
C19H20O5
Molecular Weight
328.364
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Teuflin

Teuflin has been reported in Teucrium bidentatum, Teucrium viscidum, and other organisms with data available.

CAS Number72541-00-5
PubChem CID13071598
IUPAC Name(1R,5'S,8S,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-NQFCYCSRSA-N
Chemical Structure
2D Structure
2D structure of Teuflin
CAS: 72541-00-5
CID: 13071598
Formula: C19H20O5
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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