Isotanshinone IIB

Base Information

• Chemical Name: Isotanshinone IIB
• CAS No.: 109664-01-9
• Molecular Formula: C19H18 O4
• Molecular Weight: 310.3438
• DSSTox Substance ID: DTXSID00911283
• Wikidata: Q27134613
• Metabolomics Workbench ID: 64393
• ChEMBL ID: CHEMBL509426
• Mol file: 109664-01-9.mol

Synonyms:Isotanshinone IIB;109664-01-9;4-(hydroxymethyl)-4,8-dimethyl-1,2,3,4-tetrahydrophenanthro[3,2-b]furan-7,11-dione;CHEBI:66098;CHEMBL509426;DTXSID00911283;Q27134613

Chemical Property of Isotanshinone IIB

Chemical Property:

• Vapor Pressure: 6.47E-12mmHg at 25°C
• Boiling Point: 526.5°C at 760 mmHg
• Flash Point: 272.2°C
• Density: 1.282g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 310.12050905
• Heavy Atom Count: 23
• Complexity: 530

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)CO