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Dihydroisotanshinone II

CAT: 0931-TN3851Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3851Size:1 mg
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CAS Number
260397-58-8
Target
Others
Related Pathways
Others
Bioactivity
Dihydroisotanshinone II is a natural product for research related to life sciences. The catalog number is TN3851 and the CAS number is 260397-58-8.
Smiles
O=C1C2=C(C3=C(C1=O)[C@H](C)CO3)C=4C(C=C2)=C(C)C=CC4
Molecular Formula
C18H14O3
Molecular Weight
278.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dihydroisotanshinone Ii

(3S)-3,8-dimethyl-2H,3H-phenanthro[4,3-b]furan-4,5-dione has been reported in Salvia miltiorrhiza and Salvia glutinosa with data available.

CAS Number260397-58-8
PubChem CID44425164
IUPAC Name(3S)-3,8-dimethyl-2,3-dihydronaphtho[2,1-g][1]benzofuran-4,5-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=C2C4=CC=CC(=C4C=C3)C
InChI
InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)18-14(10(2)8-21-18)17(20)16(13)19/h3-7,10H,8H2,1-2H3/t10-/m1/s1
InChIKey
KWKITVVBQQLHBB-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of Dihydroisotanshinone Ii
CAS: 260397-58-8
CID: 44425164
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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Alternative Products

CatalogName
380101Dihydroisotanshinone II
HY-B1919Dihydroisotanshinone I

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