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Tanshinone I 500mg

CAT: 0628-A10889-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A10889-500Size:500 mg
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CAS Number
568-73-0

Chemical Information

Tanshinone I

Tanshinone I is an abietane diterpenoid. It has a role as an anticoronaviral agent.

CAS Number568-73-0
PubChem CID114917
IUPAC Name1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dione
Molecular FormulaC18H12O3
Molecular Weight276.3
XLogP3.7
Topological Polar Surface Area47.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity471
SMILES
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C
InChI
InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3
InChIKey
AIGAZQPHXLWMOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tanshinone I
CAS: 568-73-0
CID: 114917
Formula: C18H12O3
MW: 276.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight276.3
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass276.078644241
Monoisotopic Mass276.078644241
Topological Polar Surface Area47.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity471
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