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Dihydroisotanshinone II

CAT: 1459-CS-BT-00293Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-BT-00293Size:1 Each
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Description
Dihydroisotanshinone II is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-BT-00293. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
260397-58-8
Synonyms
Dihydroisotanshinone II
Molecular Formula
C 18 H 14 O 3
Molecular Weight
278.31
Additionnal Information
Dihydroisotanshinone II is supplied with detailed characterization data compliant with regulatory guideline. Dihydroisotanshinone II can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

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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