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Dihydrotanshinone I

CAT: 0607-N1844-20Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0607-N1844-20Size:20 mg
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Description
Antitumor reagent
CAS Number
87205-99-0
Product Name Alternative
(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione
Field of Research
Natural Products
Purity
0.9724
Smiles
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CC=C4C
Molecular Formula
C18H14O3
Molecular Weight
278.3
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Dihydrotanshinone I

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

CAS Number87205-99-0
PubChem CID11425923
IUPAC Name(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione
Molecular FormulaC18H14O3
Molecular Weight278.3
XLogP3.2
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity533
SMILES
C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C
InChI
InChI=1S/C18H14O3/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/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKey
HARGZZNYNSYSGJ-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Dihydrotanshinone I
CAS: 87205-99-0
CID: 11425923
Formula: C18H14O3
MW: 278.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.3
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass278.094294304
Monoisotopic Mass278.094294304
Topological Polar Surface Area43.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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