Products for Research Use Only
RegisterLogin

Poncitrin

CAT: 0931-T125268-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T125268-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
22980-57-0
Target
Others
Related Pathways
Others
Bioactivity
Poncitrin is a useful organic compound for research related to life sciences. The catalog number is T125268 and the CAS number is 22980-57-0.
Smiles
COc1c2C=CC(C)(C)Oc2c(c2oc(=O)ccc12)C(C)(C)C=C
Molecular Formula
C20H22O4
Molecular Weight
326.392
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dentatin

Dentatin is a member of coumarins. It has a role as a metabolite.

CAS Number22980-57-0
PubChem CID342801
IUPAC Name5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
Molecular FormulaC20H22O4
Molecular Weight326.4
XLogP4.7
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity586
SMILES
CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC)C
InChI
InChI=1S/C20H22O4/c1-7-19(2,3)15-17-12(8-9-14(21)23-17)16(22-6)13-10-11-20(4,5)24-18(13)15/h7-11H,1H2,2-6H3
InChIKey
QBFYQVZGIDUNIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dentatin
CAS: 22980-57-0
CID: 342801
Formula: C20H22O4
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass326.15180918
Monoisotopic Mass326.15180918
Topological Polar Surface Area44.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T3S2312-01Poncirin

Alternative Products

CatalogName
MBS5790751Poncitrin

Popular Products