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Nortanshinone

CAT: 0013-GTR19260348-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260348-02Size:50 mg
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Description
Nortanshinone is a natural product isolated from Dan-Shen.
CAS Number
97399-70-7
Purity
>98% (HPLC)
Solubility
DMSO : 1.25 mg/mL (4.46 mM; ultraphonic (<60°C)
Molecular Formula
C17H12O4
Molecular Weight
280.27
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Nortanshinone

Nortanshinone has been reported in Salvia miltiorrhiza, Salvia przewalskii, and Salvia yunnanensis with data available.

CAS Number97399-70-7
PubChem CID10062187
IUPAC Name1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6,10,11-trione
Molecular FormulaC17H12O4
Molecular Weight280.27
XLogP2.2
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity511
SMILES
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=O
InChI
InChI=1S/C17H12O4/c1-8-7-21-17-11-6-5-9-10(3-2-4-12(9)18)14(11)16(20)15(19)13(8)17/h5-7H,2-4H2,1H3
InChIKey
YUFZXVOYNSJPSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nortanshinone
CAS: 97399-70-7
CID: 10062187
Formula: C17H12O4
MW: 280.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight280.27
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass280.07355886
Monoisotopic Mass280.07355886
Topological Polar Surface Area64.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity511
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

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