3,7-Dihydroxy-15,16,17-trimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one

Base Information

• Chemical Name: 3,7-Dihydroxy-15,16,17-trimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one
• CAS No.: 56222-03-8
• Molecular Formula: C22H26O6
• Molecular Weight: 386.44
• DSSTox Substance ID: DTXSID50445245
• Nikkaji Number: J138.341H
• Wikidata: Q72501801
• Mol file: 56222-03-8.mol

Synonyms:3,7-Dihydroxy-15,16,17-trimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one;3,7-dihydroxy-15,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one;DTXSID50445245;AKOS032948211

Chemical Property of 3,7-Dihydroxy-15,16,17-trimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one

Chemical Property:

• Boiling Point: 618.7±55.0 °C(Predicted)
• PKA: 9.24±0.40(Predicted)
• PSA: 85.22000
• Density: 1.212±0.06 g/cm3(Predicted)
• LogP: 3.28390
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 386.17293854
• Heavy Atom Count: 28
• Complexity: 511

Purity/Quality:

98%Min ^*data from raw suppliers

Porson 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2C=C1CCCCC(=O)CC(C3=CC2=C(C=C3)O)O)OC)OC