Naphtho(1,2-b)furan-2(3H)-one, 4-(acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4R,5aR,6R,9aS,9bR)-

Base Information

• Chemical Name: Naphtho(1,2-b)furan-2(3H)-one, 4-(acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4R,5aR,6R,9aS,9bR)-
• CAS No.: 69845-02-9
• Molecular Formula: C17H22 O5
• Molecular Weight: 306.3536
• DSSTox Substance ID: DTXSID20990116
• Wikidata: Q82979472
• Mol file: 69845-02-9.mol

Synonyms:69845-02-9;beta-Liriodenolide;DTXSID20990116;Naphtho(1,2-b)furan-2(3H)-one, 4-(acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4R,5aR,6R,9aS,9bR)-;6-Hydroxy-5a-methyl-3,9-dimethylidene-2-oxododecahydronaphtho[1,2-b]furan-4-yl acetate

Chemical Property of Naphtho(1,2-b)furan-2(3H)-one, 4-(acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4R,5aR,6R,9aS,9bR)-

Chemical Property:

• Vapor Pressure: 1.6E-10mmHg at 25°C
• Boiling Point: 463.1°Cat760mmHg
• Flash Point: 167.1°C
• Density: 1.22g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 306.14672380
• Heavy Atom Count: 22
• Complexity: 565

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1CC2(C(CCC(=C)C2C3C1C(=C)C(=O)O3)O)C
• Isomeric SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CCC(=C)[C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)O)C