(S)-6-(Hydroxymethyl)-1,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione

Base Information

• Chemical Name: (S)-6-(Hydroxymethyl)-1,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione
• CAS No.: 17397-93-2
• Molecular Formula: C19H18 O4
• Molecular Weight: 310.34
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID10432954
• Wikidata: Q72509427
• Mol file: 17397-93-2.mol

Synonyms:tanshinone;tanshinone I;tanshinone II A;tanshinone II B;tanshinone IIA;tanshinone IIB;TTE-50

Chemical Property of (S)-6-(Hydroxymethyl)-1,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione

Chemical Property:

• Boiling Point: 536.9±50.0 °C(Predicted)
• PKA: 14.73±0.10(Predicted)
• PSA: 67.51000
• Density: 1.282±0.06 g/cm3(Predicted)
• LogP: 3.22030
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• 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:

98%min ^*data from raw suppliers

TanshinoneIIB ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO
• Isomeric SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC[C@]4(C)CO
• Uses: Tanshinone IIB is useful in the treatment of cardiovascular diseases in clinical practice.