(1S,10S)-10-Hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one

Base Information

• Chemical Name: (1S,10S)-10-Hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one
• CAS No.: 216987-13-2
• Molecular Formula: C21H20O4
• Molecular Weight: 336.4
• Wikidata: Q105311064
• Mol file: 216987-13-2.mol

Synonyms:15-Epi-Danshenol-A;216987-13-2;(1S,10S)-10-Hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one;AKOS040735328;FS-7559

Chemical Property of (1S,10S)-10-Hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 336.13615911
• Heavy Atom Count: 25
• Complexity: 636

Purity/Quality:

98% ^*data from raw suppliers

15-Epi-Danshenol-A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O
• Isomeric SMILES: C[C@@H]1COC2=C1C(=O)[C@@](C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O

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